Thioethers

Organosulfur compounds that contain a carbon atom bonded to a sulfur atom that is bonded to a carbon atom in the following structure: C-S-C. Thioethers are considered the sulfur analog of the ether functional group.

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Flupentixol dihydrochloride, Thermo Scientific Chemicals

CAS: 2413-38-9 Molecular Weight (g/mol): 507.44 InChI Key: IOVDQEIIMOZNNA-MHKBYHAFSA-N IUPAC Name: dihydrogen 2-(4-{3-[(9Z)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol dichloride SMILES: [H+].[H+].[Cl-].[Cl-].OCCN1CCN(CC\C=C2\C3=CC=CC=C3SC3=CC=C(C=C23)C(F)(F)F)CC1

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CAS	2413-38-9
Molecular Weight (g/mol)	507.44
SMILES	[H+].[H+].[Cl-].[Cl-].OCCN1CCN(CC\C=C2\C3=CC=CC=C3SC3=CC=C(C=C23)C(F)(F)F)CC1
IUPAC Name	dihydrogen 2-(4-{3-[(9Z)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol dichloride
InChI Key	IOVDQEIIMOZNNA-MHKBYHAFSA-N

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(Benzylthio)acetone, 98%, Thermo Scientific Chemicals

CAS: 10230-69-0 Molecular Formula: C10H12OS Molecular Weight (g/mol): 180.265 MDL Number: MFCD00026241 InChI Key: OIEDQMIEPJIRFT-UHFFFAOYSA-N Synonym: 1-benzylthio acetone,1-benzylthio-2-propanone,benzylthio acetone,.alpha.-benzylthio acetone,1-benzylsulfanyl propan-2-one,1-phenylmethylthio acetone,1-benzylsulfanyl acetone,benzylthio-2-propanone,acmc-20ap9q,alpha-benzylthio acetone PubChem CID: 82472 IUPAC Name: 1-benzylsulfanylpropan-2-one SMILES: CC(=O)CSCC1=CC=CC=C1

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PubChem CID	82472
CAS	10230-69-0
Molecular Weight (g/mol)	180.265
MDL Number	MFCD00026241
SMILES	CC(=O)CSCC1=CC=CC=C1
Synonym	1-benzylthio acetone,1-benzylthio-2-propanone,benzylthio acetone,.alpha.-benzylthio acetone,1-benzylsulfanyl propan-2-one,1-phenylmethylthio acetone,1-benzylsulfanyl acetone,benzylthio-2-propanone,acmc-20ap9q,alpha-benzylthio acetone
IUPAC Name	1-benzylsulfanylpropan-2-one
InChI Key	OIEDQMIEPJIRFT-UHFFFAOYSA-N
Molecular Formula	C10H12OS

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Azathioprine, USP, 98-102%, Spectrum™ Chemical

CAS: 446-86-6 Molecular Formula: C9H7N7O2S Molecular Weight (g/mol): 277.26 InChI Key: LMEKQMALGUDUQG-UHFFFAOYSA-N IUPAC Name: 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine SMILES: CN1C=NC(=C1SC1=C2NC=NC2=NC=N1)[N+]([O-])=O

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CAS	446-86-6
Molecular Weight (g/mol)	277.26
SMILES	CN1C=NC(=C1SC1=C2NC=NC2=NC=N1)[N+]([O-])=O
IUPAC Name	6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine
InChI Key	LMEKQMALGUDUQG-UHFFFAOYSA-N
Molecular Formula	C9H7N7O2S

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4,6-Diamino-2-(methylthio)pyrimidine, 97%, Thermo Scientific Chemicals

CAS: 1005-39-6 Molecular Formula: C5H8N4S Molecular Weight (g/mol): 156.207 MDL Number: MFCD00023241 InChI Key: AHAIUNAIAHSWPG-UHFFFAOYSA-N Synonym: 4,6-diamino-2-methylmercaptopyrimidine,2-methylthio pyrimidine-4,6-diamine,2-methylthiopyrimidine-4,6-diamine,4,6-diamino-2-methylthiopyrimidine,4,6-pyrimidinediamine, 2-methylthio,4,6-diamino-2-methylthio pyrimidine,2-methylsulfanyl pyrimidine-4,6-diamine,2-methylthio-4,6-diaminopyrimidine,4,6-diamino-2-methyl-mercaptopyrimidine,pyrimidine, 4,6-diamino-2-methylthio PubChem CID: 70497 IUPAC Name: 2-methylsulfanylpyrimidine-4,6-diamine SMILES: CSC1=NC(=CC(=N1)N)N

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PubChem CID	70497
CAS	1005-39-6
Molecular Weight (g/mol)	156.207
MDL Number	MFCD00023241
SMILES	CSC1=NC(=CC(=N1)N)N
Synonym	4,6-diamino-2-methylmercaptopyrimidine,2-methylthio pyrimidine-4,6-diamine,2-methylthiopyrimidine-4,6-diamine,4,6-diamino-2-methylthiopyrimidine,4,6-pyrimidinediamine, 2-methylthio,4,6-diamino-2-methylthio pyrimidine,2-methylsulfanyl pyrimidine-4,6-diamine,2-methylthio-4,6-diaminopyrimidine,4,6-diamino-2-methyl-mercaptopyrimidine,pyrimidine, 4,6-diamino-2-methylthio
IUPAC Name	2-methylsulfanylpyrimidine-4,6-diamine
InChI Key	AHAIUNAIAHSWPG-UHFFFAOYSA-N
Molecular Formula	C5H8N4S

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4-Methyl-2-(methylthio)pyrimidine, 98%, Thermo Scientific Chemicals

CAS: 14001-63-9 Molecular Formula: C6H8N2S Molecular Weight (g/mol): 140.204 MDL Number: MFCD00023242 InChI Key: UCERVHYBSTYCQS-UHFFFAOYSA-N Synonym: 4-methyl-2-methylthio pyrimidine,4-methyl-2 methylsulfanyl pyrimidine,4-methyl-2-methylsulfanyl pyrimidine,pyrimidine, 4-methyl-2-methylthio,4-methyl-2-methylsulfanyl-pyrimidine,2-methylthio-4-methylpyrimidine,4-methyl-2-methylthiopyrimidine,4-methyl-2-methylsulphanyl pyrimidine,acmc-1bust,methylmethylsulfanylpyrimidine PubChem CID: 821261 IUPAC Name: 4-methyl-2-methylsulfanylpyrimidine SMILES: CC1=NC(=NC=C1)SC

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PubChem CID	821261
CAS	14001-63-9
Molecular Weight (g/mol)	140.204
MDL Number	MFCD00023242
SMILES	CC1=NC(=NC=C1)SC
Synonym	4-methyl-2-methylthio pyrimidine,4-methyl-2 methylsulfanyl pyrimidine,4-methyl-2-methylsulfanyl pyrimidine,pyrimidine, 4-methyl-2-methylthio,4-methyl-2-methylsulfanyl-pyrimidine,2-methylthio-4-methylpyrimidine,4-methyl-2-methylthiopyrimidine,4-methyl-2-methylsulphanyl pyrimidine,acmc-1bust,methylmethylsulfanylpyrimidine
IUPAC Name	4-methyl-2-methylsulfanylpyrimidine
InChI Key	UCERVHYBSTYCQS-UHFFFAOYSA-N
Molecular Formula	C6H8N2S

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3-Amino-5-methylthio-1H-pyrazole-4-carbonitrile, 97%, Thermo Scientific Chemicals

CAS: 72760-85-1 Molecular Formula: C5H6N4S Molecular Weight (g/mol): 154.191 MDL Number: MFCD00052745 InChI Key: IUVUVQGOSHLPJV-UHFFFAOYSA-N Synonym: 3-amino-5-methylthio-1h-pyrazole-4-carbonitrile,3-amino-5-methylthio pyrazole-4-carbonitrile,3-amino-4-cyano-5-methylthiopyrazole,5-amino-3-methylsulfanyl-1h-pyrazole-4-carbonitrile,5-amino-3-methylthiopyrazole-4-carbonitrile,1h-pyrazole-4-carbonitrile,3-amino-5-methylthio,5-amino-3-methylthio-1h-pyrazole-4-carbonitrile,3-amino-5-methylsulfanyl-1h-pyrazole-4-carbonitrile,3-amino-5-methylsulfanyl-2h-pyrazole-4-carbonitrile PubChem CID: 736200 IUPAC Name: 5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile SMILES: CSC1=NNC(=C1C#N)N

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PubChem CID	736200
CAS	72760-85-1
Molecular Weight (g/mol)	154.191
MDL Number	MFCD00052745
SMILES	CSC1=NNC(=C1C#N)N
Synonym	3-amino-5-methylthio-1h-pyrazole-4-carbonitrile,3-amino-5-methylthio pyrazole-4-carbonitrile,3-amino-4-cyano-5-methylthiopyrazole,5-amino-3-methylsulfanyl-1h-pyrazole-4-carbonitrile,5-amino-3-methylthiopyrazole-4-carbonitrile,1h-pyrazole-4-carbonitrile,3-amino-5-methylthio,5-amino-3-methylthio-1h-pyrazole-4-carbonitrile,3-amino-5-methylsulfanyl-1h-pyrazole-4-carbonitrile,3-amino-5-methylsulfanyl-2h-pyrazole-4-carbonitrile
IUPAC Name	5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile
InChI Key	IUVUVQGOSHLPJV-UHFFFAOYSA-N
Molecular Formula	C5H6N4S

n-Butyl sulfide, 99%, pure

CAS: 544-40-1 Molecular Formula: C8H18S Molecular Weight (g/mol): 146.29 MDL Number: MFCD00009468 InChI Key: HTIRHQRTDBPHNZ-UHFFFAOYSA-N Synonym: dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide PubChem CID: 11002 SMILES: CCCCSCCCC

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PubChem CID	11002
CAS	544-40-1
Molecular Weight (g/mol)	146.29
MDL Number	MFCD00009468
SMILES	CCCCSCCCC
Synonym	dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide
InChI Key	HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Molecular Formula	C8H18S

Dimethyl sulfide, 99+%

CAS: 75-18-3 Molecular Formula: C2H6S Molecular Weight (g/mol): 62.13 MDL Number: MFCD00008562 InChI Key: QMMFVYPAHWMCMS-UHFFFAOYSA-N Synonym: dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane PubChem CID: 1068 ChEBI: CHEBI:17437 SMILES: CSC

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PubChem CID	1068
CAS	75-18-3
Molecular Weight (g/mol)	62.13
ChEBI	CHEBI:17437
MDL Number	MFCD00008562
SMILES	CSC
Synonym	dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane
InChI Key	QMMFVYPAHWMCMS-UHFFFAOYSA-N
Molecular Formula	C2H6S

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2-(Methylthio)ethylamine, 97%

CAS: 18542-42-2 MDL Number: MFCD00014825 InChI Key: CYWGSFFHHMQKET-UHFFFAOYSA-N Synonym: 2-methylthio ethylamine,2-methylthio ethanamine,2-aminoethyl methyl sulfide,2-methylsulfanyl ethanamine,ethanamine, 2-methylthio,2-methylsulfanyl ethan-1-amine,2-methylthio ethyl amine,ethylamine, 2-methylthio,s-methylcysteamine PubChem CID: 87697 IUPAC Name: 2-methylsulfanylethanamine SMILES: CSCCN

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PubChem CID	87697
CAS	18542-42-2
MDL Number	MFCD00014825
SMILES	CSCCN
Synonym	2-methylthio ethylamine,2-methylthio ethanamine,2-aminoethyl methyl sulfide,2-methylsulfanyl ethanamine,ethanamine, 2-methylthio,2-methylsulfanyl ethan-1-amine,2-methylthio ethyl amine,ethylamine, 2-methylthio,s-methylcysteamine
IUPAC Name	2-methylsulfanylethanamine
InChI Key	CYWGSFFHHMQKET-UHFFFAOYSA-N

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3,6-Dithia-1,8-octanediol, 97%

CAS: 5244-34-8 Molecular Formula: C6H14O2S2 Molecular Weight (g/mol): 182.296 MDL Number: MFCD00002911 InChI Key: PDHFSBXFZGYBIP-UHFFFAOYSA-N Synonym: 3,6-dithia-1,8-octanediol,1,2-bis 2-hydroxyethylthio ethane,3,6-dithiaoctane-1,8-diol,dithiaoctanediol,ethylenedithioethanol,ethanol, 2,2'-1,2-ethanediylbis thio bis,unii-kbc80263g6,2,2'-ethane-1,2-diylbis sulfanediyl diethanol,2,2'-ethylenedithio diethanol,ethanol, 2,2'-ethylenedithio di PubChem CID: 78904 IUPAC Name: 2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol SMILES: C(CSCCSCCO)O

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PubChem CID	78904
CAS	5244-34-8
Molecular Weight (g/mol)	182.296
MDL Number	MFCD00002911
SMILES	C(CSCCSCCO)O
Synonym	3,6-dithia-1,8-octanediol,1,2-bis 2-hydroxyethylthio ethane,3,6-dithiaoctane-1,8-diol,dithiaoctanediol,ethylenedithioethanol,ethanol, 2,2'-1,2-ethanediylbis thio bis,unii-kbc80263g6,2,2'-ethane-1,2-diylbis sulfanediyl diethanol,2,2'-ethylenedithio diethanol,ethanol, 2,2'-ethylenedithio di
IUPAC Name	2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol
InChI Key	PDHFSBXFZGYBIP-UHFFFAOYSA-N
Molecular Formula	C6H14O2S2

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tert-Butyl methyl sulfide, 98+%

CAS: 6163-64-0 Molecular Formula: C5H12S Molecular Weight (g/mol): 104.21 MDL Number: MFCD00008840 InChI Key: CJFVCTVYZFTORU-UHFFFAOYSA-N Synonym: tert-butyl methyl sulfide,propane, 2-methyl-2-methylthio,sulfide, tert-butyl methyl,methyl tert-butyl sulfide,3,3-dimethyl-2-thiabutane,2-methyl-2-methylsulfanyl propane,t-butyl methyl sulfide,methyl t-butyl sulfide,tert-butyl methyl sulfane,acmc-1b7tx PubChem CID: 138679 IUPAC Name: 2-methyl-2-methylsulfanylpropane SMILES: CSC(C)(C)C

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PubChem CID	138679
CAS	6163-64-0
Molecular Weight (g/mol)	104.21
MDL Number	MFCD00008840
SMILES	CSC(C)(C)C
Synonym	tert-butyl methyl sulfide,propane, 2-methyl-2-methylthio,sulfide, tert-butyl methyl,methyl tert-butyl sulfide,3,3-dimethyl-2-thiabutane,2-methyl-2-methylsulfanyl propane,t-butyl methyl sulfide,methyl t-butyl sulfide,tert-butyl methyl sulfane,acmc-1b7tx
IUPAC Name	2-methyl-2-methylsulfanylpropane
InChI Key	CJFVCTVYZFTORU-UHFFFAOYSA-N
Molecular Formula	C5H12S

2-[(2-Phenoxyethyl)thio]acetic acid, 97%, Thermo Scientific™

CAS: 75434-70-7 Molecular Formula: C10H12O3S Molecular Weight (g/mol): 212.263 MDL Number: MFCD00085152 InChI Key: SHWKIHWUFNTMIB-UHFFFAOYSA-N Synonym: 2-2-phenoxyethyl thio acetic acid,2-2-phenoxyethyl sulfanyl acetic acid,2-phenoxyethyl sulfanyl acetic acid,maybridge1_005030,2-2-phenoxyethylthio acetic acid,2-phenoxy-ethylsulfanyl acetic acid,2-phenoxy-ethylsulfanyl-acetic acid,2-2-phenoxyethylsulfanyl acetic acid PubChem CID: 2779087 IUPAC Name: 2-(2-phenoxyethylsulfanyl)acetic acid SMILES: C1=CC=C(C=C1)OCCSCC(=O)O

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PubChem CID	2779087
CAS	75434-70-7
Molecular Weight (g/mol)	212.263
MDL Number	MFCD00085152
SMILES	C1=CC=C(C=C1)OCCSCC(=O)O
Synonym	2-2-phenoxyethyl thio acetic acid,2-2-phenoxyethyl sulfanyl acetic acid,2-phenoxyethyl sulfanyl acetic acid,maybridge1_005030,2-2-phenoxyethylthio acetic acid,2-phenoxy-ethylsulfanyl acetic acid,2-phenoxy-ethylsulfanyl-acetic acid,2-2-phenoxyethylsulfanyl acetic acid
IUPAC Name	2-(2-phenoxyethylsulfanyl)acetic acid
InChI Key	SHWKIHWUFNTMIB-UHFFFAOYSA-N
Molecular Formula	C10H12O3S

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Di-2-thienyl sulfide, 97%

CAS: 3988-99-6 Molecular Formula: C8H6S3 Molecular Weight (g/mol): 198.32 MDL Number: MFCD00052047 InChI Key: AKYIWBKPINOXJY-UHFFFAOYSA-N Synonym: 2-2-thienylthio thiophene,thiophene, 2,2'-thiobis,thiophene,2,2'-thiobis,2-2-thienylsulfanyl thiophene,2-thiophen-2-ylsulfanyl thiophene,2-thienyl sulfide,di-2-thienyl sulfide,2,2'-thiobisthiophene,di 2-thienyl sulphide PubChem CID: 138094 IUPAC Name: 2-thiophen-2-ylsulfanylthiophene SMILES: S(C1=CC=CS1)C1=CC=CS1

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PubChem CID	138094
CAS	3988-99-6
Molecular Weight (g/mol)	198.32
MDL Number	MFCD00052047
SMILES	S(C1=CC=CS1)C1=CC=CS1
Synonym	2-2-thienylthio thiophene,thiophene, 2,2'-thiobis,thiophene,2,2'-thiobis,2-2-thienylsulfanyl thiophene,2-thiophen-2-ylsulfanyl thiophene,2-thienyl sulfide,di-2-thienyl sulfide,2,2'-thiobisthiophene,di 2-thienyl sulphide
IUPAC Name	2-thiophen-2-ylsulfanylthiophene
InChI Key	AKYIWBKPINOXJY-UHFFFAOYSA-N
Molecular Formula	C8H6S3

5-(2-Pyridinylsulfanyl)-2-furaldehyde, 95+%, Thermo Scientific™

CAS: 709635-68-7 Molecular Formula: C10H7NO2S Molecular Weight (g/mol): 205.231 InChI Key: NWJZBQDKKLHSBP-UHFFFAOYSA-N Synonym: 5-2-pyridinylsulfanyl-2-furaldehyde,5-pyridin-2-ylthio furan-2-carbaldehyde,5-pyridin-2-ylsulfanyl furan-2-carbaldehyde,5-pyridin-2-ylsulfanyl-furan-2-carbaldehyde,5-pyridin-2-ylthio-2-furaldehyde,5-2-pyridylthio furan-2-carbaldehyde,5-2-pyridylsulfanyl furan-2-carbaldehyde,2-furancarboxaldehyde,5-2-pyridinylthio,2-furancarboxaldehyde, 5-2-pyridinylthio PubChem CID: 2794784 IUPAC Name: 5-pyridin-2-ylsulfanylfuran-2-carbaldehyde SMILES: C1=CC=NC(=C1)SC2=CC=C(O2)C=O

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PubChem CID	2794784
CAS	709635-68-7
Molecular Weight (g/mol)	205.231
SMILES	C1=CC=NC(=C1)SC2=CC=C(O2)C=O
Synonym	5-2-pyridinylsulfanyl-2-furaldehyde,5-pyridin-2-ylthio furan-2-carbaldehyde,5-pyridin-2-ylsulfanyl furan-2-carbaldehyde,5-pyridin-2-ylsulfanyl-furan-2-carbaldehyde,5-pyridin-2-ylthio-2-furaldehyde,5-2-pyridylthio furan-2-carbaldehyde,5-2-pyridylsulfanyl furan-2-carbaldehyde,2-furancarboxaldehyde,5-2-pyridinylthio,2-furancarboxaldehyde, 5-2-pyridinylthio
IUPAC Name	5-pyridin-2-ylsulfanylfuran-2-carbaldehyde
InChI Key	NWJZBQDKKLHSBP-UHFFFAOYSA-N
Molecular Formula	C10H7NO2S

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4-(4-Thiomorpholinyl)aniline, 97%

CAS: 22589-35-1 Molecular Formula: C10H14N2S Molecular Weight (g/mol): 194.296 MDL Number: MFCD01625958 InChI Key: RQXQMUUSQGCLPL-UHFFFAOYSA-N Synonym: 4-thiomorpholinoaniline,4-thiomorpholin-4-yl aniline,4-thiomorpholin-4-yl phenylamine,4-thiomorpholinobenzenamine,4-thiomorpholin-4-yl-phenylamine,benzenamine,4-4-thiomorpholinyl,benzenamine, 4-4-thiomorpholinyl,4-p-aminophenyl-tetrahydro-4h-1,4-thiazine PubChem CID: 10774206 IUPAC Name: 4-thiomorpholin-4-ylaniline SMILES: C1CSCCN1C2=CC=C(C=C2)N

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PubChem CID	10774206
CAS	22589-35-1
Molecular Weight (g/mol)	194.296
MDL Number	MFCD01625958
SMILES	C1CSCCN1C2=CC=C(C=C2)N
Synonym	4-thiomorpholinoaniline,4-thiomorpholin-4-yl aniline,4-thiomorpholin-4-yl phenylamine,4-thiomorpholinobenzenamine,4-thiomorpholin-4-yl-phenylamine,benzenamine,4-4-thiomorpholinyl,benzenamine, 4-4-thiomorpholinyl,4-p-aminophenyl-tetrahydro-4h-1,4-thiazine
IUPAC Name	4-thiomorpholin-4-ylaniline
InChI Key	RQXQMUUSQGCLPL-UHFFFAOYSA-N
Molecular Formula	C10H14N2S

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