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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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1

Sigma Aldrich o-Toluidine solution

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS
CAS 95-53-4
2
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Phenyl sulfide, 99%

CAS: 139-66-2 Molecular Formula: C12H10S Molecular Weight (g/mol): 186.27 MDL Number: MFCD00003064 InChI Key: LTYMSROWYAPPGB-UHFFFAOYSA-N Synonym: diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl PubChem CID: 8766 ChEBI: CHEBI:38959 IUPAC Name: phenylsulfanylbenzene SMILES: S(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 8766
CAS 139-66-2
Molecular Weight (g/mol) 186.27
ChEBI CHEBI:38959
MDL Number MFCD00003064
SMILES S(C1=CC=CC=C1)C1=CC=CC=C1
Synonym diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl
IUPAC Name phenylsulfanylbenzene
InChI Key LTYMSROWYAPPGB-UHFFFAOYSA-N
Molecular Formula C12H10S
3
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3,3'-Thiodipropionic acid, 99%

CAS: 111-17-1 Molecular Formula: C6H10O4S Molecular Weight (g/mol): 178.2 MDL Number: MFCD00002781 InChI Key: ODJQKYXPKWQWNK-UHFFFAOYSA-N Synonym: 3,3'-thiodipropionic acid,thiodipropionic acid,propanoic acid, 3,3'-thiobis,bis 2-carboxyethyl sulfide,tyox a,thiodihydracrylic acid,4-thiaheptanedioic acid,tdpa,sulfide, bis 2-carboxyethyl,3,3'-thiodipropanoic acid PubChem CID: 8096 IUPAC Name: 3-(2-carboxyethylsulfanyl)propanoic acid SMILES: C(CSCCC(=O)O)C(=O)O

PubChem CID 8096
CAS 111-17-1
Molecular Weight (g/mol) 178.2
MDL Number MFCD00002781
SMILES C(CSCCC(=O)O)C(=O)O
Synonym 3,3'-thiodipropionic acid,thiodipropionic acid,propanoic acid, 3,3'-thiobis,bis 2-carboxyethyl sulfide,tyox a,thiodihydracrylic acid,4-thiaheptanedioic acid,tdpa,sulfide, bis 2-carboxyethyl,3,3'-thiodipropanoic acid
IUPAC Name 3-(2-carboxyethylsulfanyl)propanoic acid
InChI Key ODJQKYXPKWQWNK-UHFFFAOYSA-N
Molecular Formula C6H10O4S
4

Methyl sulfide, 99+%, extra pure

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 IUPAC Name: methylsulfanylmethane SMILES: CSC

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
IUPAC Name methylsulfanylmethane
InChI Key QMMFVYPAHWMCMS-UHFFFAOYSA-N
Molecular Formula C2H6S
5

2-(Phenylthio)nicotinic acid, 97%, Thermo Scientific™

CAS: 35620-72-5 Molecular Formula: C12H9NO2S Molecular Weight (g/mol): 231.269 MDL Number: MFCD00052110 InChI Key: MGIDOIDQQMOYTH-UHFFFAOYSA-N Synonym: 2-phenylthio nicotinic acid,2-phenylsulfanyl nicotinic acid,2-phenylsulfanyl pyridine-3-carboxylic acid,3-pyridinecarboxylicacid, 2-phenylthio,3-pyridinecarboxylic acid, 2-phenylthio,2-phenylthiopyridine-3-carboxylic acid,maybridge1_001786,2-phenylthio-3-pyridinecarboxylic acid,2-phenylthio pyridine-3-carboxylic acid PubChem CID: 725029 IUPAC Name: 2-phenylsulfanylpyridine-3-carboxylic acid SMILES: C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O

PubChem CID 725029
CAS 35620-72-5
Molecular Weight (g/mol) 231.269
MDL Number MFCD00052110
SMILES C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O
Synonym 2-phenylthio nicotinic acid,2-phenylsulfanyl nicotinic acid,2-phenylsulfanyl pyridine-3-carboxylic acid,3-pyridinecarboxylicacid, 2-phenylthio,3-pyridinecarboxylic acid, 2-phenylthio,2-phenylthiopyridine-3-carboxylic acid,maybridge1_001786,2-phenylthio-3-pyridinecarboxylic acid,2-phenylthio pyridine-3-carboxylic acid
IUPAC Name 2-phenylsulfanylpyridine-3-carboxylic acid
InChI Key MGIDOIDQQMOYTH-UHFFFAOYSA-N
Molecular Formula C12H9NO2S
6
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Thiomorpholine, 97%

CAS: 123-90-0 Molecular Formula: C4H9NS Molecular Weight (g/mol): 103.19 MDL Number: MFCD00005974 InChI Key: BRNULMACUQOKMR-UHFFFAOYSA-N Synonym: thiamorpholine,thiazolidinane,parathiazan,4-thiomorpholine,tetrahydro-1,4-thiazine,1,4-thiazane,1,4-thiazan,1-thia-4-azacyclohexane,unii-3a8r61g6qv,1,4-thiazaperhydroine PubChem CID: 67164 ChEBI: CHEBI:36392 IUPAC Name: thiomorpholine SMILES: C1CSCCN1

PubChem CID 67164
CAS 123-90-0
Molecular Weight (g/mol) 103.19
ChEBI CHEBI:36392
MDL Number MFCD00005974
SMILES C1CSCCN1
Synonym thiamorpholine,thiazolidinane,parathiazan,4-thiomorpholine,tetrahydro-1,4-thiazine,1,4-thiazane,1,4-thiazan,1-thia-4-azacyclohexane,unii-3a8r61g6qv,1,4-thiazaperhydroine
IUPAC Name thiomorpholine
InChI Key BRNULMACUQOKMR-UHFFFAOYSA-N
Molecular Formula C4H9NS
7
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Thioxanthene, 98%

CAS: 261-31-4 Molecular Formula: C13H10S Molecular Weight (g/mol): 198.28 MDL Number: MFCD00046936 InChI Key: PQJUJGAVDBINPI-UHFFFAOYSA-N Synonym: thioxanthene,10h-dibenzo b,e thiin,thiaxanthen,thioxanthen,dibenzothiapyran,9h-thioxanthen,10h-dibenzo b,e thiopyran,chembl79451 PubChem CID: 67495 ChEBI: CHEBI:51055 IUPAC Name: 9H-thioxanthene SMILES: C1C2=CC=CC=C2SC2=CC=CC=C12

PubChem CID 67495
CAS 261-31-4
Molecular Weight (g/mol) 198.28
ChEBI CHEBI:51055
MDL Number MFCD00046936
SMILES C1C2=CC=CC=C2SC2=CC=CC=C12
Synonym thioxanthene,10h-dibenzo b,e thiin,thiaxanthen,thioxanthen,dibenzothiapyran,9h-thioxanthen,10h-dibenzo b,e thiopyran,chembl79451
IUPAC Name 9H-thioxanthene
InChI Key PQJUJGAVDBINPI-UHFFFAOYSA-N
Molecular Formula C13H10S
8

4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylic acid, ≥97%, Thermo Scientific™

CAS: 128453-98-5 Molecular Formula: C10H17NO4S Molecular Weight (g/mol): 247.309 MDL Number: MFCD02683067 InChI Key: CTDIKDIZNAGMFK-UHFFFAOYSA-N Synonym: 4-tert-butoxycarbonyl thiomorpholine-3-carboxylic acid,4-boc-thiomorpholine-3-carboxylic acid,n-boc-3-thiomorpholinecarboxylic acid,thiomorpholine-3,4-dicarboxylic acid 4-tert-butyl ester,4-tert-butoxy carbonyl thiomorpholine-3-carboxylic acid,3,4-thiomorpholinedicarboxylicacid, 4-1,1-dimethylethyl ester,acmc-20dpph,acmc-1bvvh,+/--thiomorpholine-3,4-dicarboxylicacid4-tert-butylester,n-boc-3-thiomorpholinecarboxylicacid PubChem CID: 2756831 IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCSCC1C(=O)O

PubChem CID 2756831
CAS 128453-98-5
Molecular Weight (g/mol) 247.309
MDL Number MFCD02683067
SMILES CC(C)(C)OC(=O)N1CCSCC1C(=O)O
Synonym 4-tert-butoxycarbonyl thiomorpholine-3-carboxylic acid,4-boc-thiomorpholine-3-carboxylic acid,n-boc-3-thiomorpholinecarboxylic acid,thiomorpholine-3,4-dicarboxylic acid 4-tert-butyl ester,4-tert-butoxy carbonyl thiomorpholine-3-carboxylic acid,3,4-thiomorpholinedicarboxylicacid, 4-1,1-dimethylethyl ester,acmc-20dpph,acmc-1bvvh,+/--thiomorpholine-3,4-dicarboxylicacid4-tert-butylester,n-boc-3-thiomorpholinecarboxylicacid
IUPAC Name 4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid
InChI Key CTDIKDIZNAGMFK-UHFFFAOYSA-N
Molecular Formula C10H17NO4S
9

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

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
10

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

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
11
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(2-Pyrimidylthio)acetic acid, 98%, Thermo Scientific™

CAS: 88768-45-0 Molecular Formula: C6H5N2O2S Molecular Weight (g/mol): 169.18 MDL Number: MFCD00010287 InChI Key: NIEOYUNNKKAQKI-UHFFFAOYSA-M Synonym: 2-pyrimidylthio acetic acid,pyrimidin-2-ylthio acetic acid,2-pyrimidin-2-ylthio acetic acid,pyrimidin-2-ylsulfanyl acetic acid,2-pyrimidinylthio acetic acid,acetic acid, 2-pyrimidinylthio,2-carboxymethylthio pyrimidine,2-pyrimidin-2-ylsulfanyl acetic acid,2-pyrimidin-2-ylthioacetic acid,acetic acid, 2-2-pyrimidinylthio PubChem CID: 581022 IUPAC Name: 2-pyrimidin-2-ylsulfanylacetic acid SMILES: [O-]C(=O)CSC1=NC=CC=N1

PubChem CID 581022
CAS 88768-45-0
Molecular Weight (g/mol) 169.18
MDL Number MFCD00010287
SMILES [O-]C(=O)CSC1=NC=CC=N1
Synonym 2-pyrimidylthio acetic acid,pyrimidin-2-ylthio acetic acid,2-pyrimidin-2-ylthio acetic acid,pyrimidin-2-ylsulfanyl acetic acid,2-pyrimidinylthio acetic acid,acetic acid, 2-pyrimidinylthio,2-carboxymethylthio pyrimidine,2-pyrimidin-2-ylsulfanyl acetic acid,2-pyrimidin-2-ylthioacetic acid,acetic acid, 2-2-pyrimidinylthio
IUPAC Name 2-pyrimidin-2-ylsulfanylacetic acid
InChI Key NIEOYUNNKKAQKI-UHFFFAOYSA-M
Molecular Formula C6H5N2O2S
12

2-Thiomorpholinoisonicotinaldehyde, 97%, Thermo Scientific™

CAS: 898289-24-2 Molecular Formula: C10H12N2OS Molecular Weight (g/mol): 208.28 MDL Number: MFCD09702361 InChI Key: XESFZSHCANCGBY-UHFFFAOYSA-N Synonym: 2-thiomorpholinoisonicotinaldehyde,2-thiomorpholin-4-yl pyridine-4-carbaldehyde,2-thiomorpholin-4-yl pyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde,2-4-thiomorpholinyl,2-thiomorpholin-4-yl isonicotinaldehyde,2-1,4-thiazaperhydroin-4-yl pyridine-4-carbaldehyde PubChem CID: 24229507 IUPAC Name: 2-thiomorpholin-4-ylpyridine-4-carbaldehyde SMILES: O=CC1=CC(=NC=C1)N1CCSCC1

PubChem CID 24229507
CAS 898289-24-2
Molecular Weight (g/mol) 208.28
MDL Number MFCD09702361
SMILES O=CC1=CC(=NC=C1)N1CCSCC1
Synonym 2-thiomorpholinoisonicotinaldehyde,2-thiomorpholin-4-yl pyridine-4-carbaldehyde,2-thiomorpholin-4-yl pyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde,2-4-thiomorpholinyl,2-thiomorpholin-4-yl isonicotinaldehyde,2-1,4-thiazaperhydroin-4-yl pyridine-4-carbaldehyde
IUPAC Name 2-thiomorpholin-4-ylpyridine-4-carbaldehyde
InChI Key XESFZSHCANCGBY-UHFFFAOYSA-N
Molecular Formula C10H12N2OS
13
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2-Mercaptoethyl sulfide, 90%

CAS: 3570-55-6 Molecular Formula: C4H10S3 Molecular Weight (g/mol): 154.30 MDL Number: MFCD00004893 InChI Key: KSJBMDCFYZKAFH-UHFFFAOYSA-N Synonym: 2,2'-thiodiethanethiol,bis 2-mercaptoethyl sulfide,2-mercaptoethyl sulfide,ethanethiol, 2,2'-thiobis,bis mercaptoethyl sulfide,3-thia-1,5-pentanedithiol,2-mercaptoethylsulfide,2,2'-dimercaptodiethyl sulfide,unii-oeu4azc07s,ethanethiol, 2,2'-thiodi PubChem CID: 77117 IUPAC Name: 2-(2-sulfanylethylsulfanyl)ethanethiol SMILES: SCCSCCS

PubChem CID 77117
CAS 3570-55-6
Molecular Weight (g/mol) 154.30
MDL Number MFCD00004893
SMILES SCCSCCS
Synonym 2,2'-thiodiethanethiol,bis 2-mercaptoethyl sulfide,2-mercaptoethyl sulfide,ethanethiol, 2,2'-thiobis,bis mercaptoethyl sulfide,3-thia-1,5-pentanedithiol,2-mercaptoethylsulfide,2,2'-dimercaptodiethyl sulfide,unii-oeu4azc07s,ethanethiol, 2,2'-thiodi
IUPAC Name 2-(2-sulfanylethylsulfanyl)ethanethiol
InChI Key KSJBMDCFYZKAFH-UHFFFAOYSA-N
Molecular Formula C4H10S3
14
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Cyclohexyl methyl sulfide, 97%

CAS: 7133-37-1 Molecular Formula: C7H14S Molecular Weight (g/mol): 130.25 MDL Number: MFCD00039460 InChI Key: QQBIOCGHCKNYGP-UHFFFAOYSA-N Synonym: cyclohexyl methyl sulfide,methylthio cyclohexane,sulfide, cyclohexyl methyl,cyclohexane, methylthio,methylthiocyclohexane,methylcyclohexylsulfide,cyclohexylmethylsulphide,cyclohexyl methylsulfide,methyl cyclohexyl sulfide,methylsulfanyl cyclohexane PubChem CID: 81553 SMILES: CSC1CCCCC1

PubChem CID 81553
CAS 7133-37-1
Molecular Weight (g/mol) 130.25
MDL Number MFCD00039460
SMILES CSC1CCCCC1
Synonym cyclohexyl methyl sulfide,methylthio cyclohexane,sulfide, cyclohexyl methyl,cyclohexane, methylthio,methylthiocyclohexane,methylcyclohexylsulfide,cyclohexylmethylsulphide,cyclohexyl methylsulfide,methyl cyclohexyl sulfide,methylsulfanyl cyclohexane
InChI Key QQBIOCGHCKNYGP-UHFFFAOYSA-N
Molecular Formula C7H14S
15
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1-Methylthio-2-propanone, 98+%

CAS: 14109-72-9 Molecular Formula: C4H8OS Molecular Weight (g/mol): 104.17 MDL Number: MFCD00015325 InChI Key: UKFADLGENFFWHR-UHFFFAOYSA-N Synonym: 1-methylthio-2-propanone,methylthio acetone,2-thia-4-pentanone,unii-s6v0dw7bqa,1-methylsulfanyl propan-2-one,2-propanone, 1-methylthio,methylthio-2-propanone,acetonyl methyl sulfide,1-methylsulfanyl acetone,s6v0dw7bqa PubChem CID: 6430713 IUPAC Name: 1-methylsulfanylpropan-2-one SMILES: CSCC(C)=O

PubChem CID 6430713
CAS 14109-72-9
Molecular Weight (g/mol) 104.17
MDL Number MFCD00015325
SMILES CSCC(C)=O
Synonym 1-methylthio-2-propanone,methylthio acetone,2-thia-4-pentanone,unii-s6v0dw7bqa,1-methylsulfanyl propan-2-one,2-propanone, 1-methylthio,methylthio-2-propanone,acetonyl methyl sulfide,1-methylsulfanyl acetone,s6v0dw7bqa
IUPAC Name 1-methylsulfanylpropan-2-one
InChI Key UKFADLGENFFWHR-UHFFFAOYSA-N
Molecular Formula C4H8OS