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Organosulfur Compounds

Organic compounds that contain one or more sulfur atoms, or sulfur-containing functional groups.
Thioethers (246)
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1
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Sulfamethoxypyridazine, Thermo Scientific Chemicals

CAS: 80-35-3 Molecular Formula: C11H12N4O3S Molecular Weight (g/mol): 280.3 InChI Key: VLYWMPOKSSWJAL-UHFFFAOYSA-N Synonym: sulfamethoxypyridazine,sulphamethoxypyridazine,sulfapyridazine,sulfalex,longin,midicel,sulfametoxipiridazine,spofadazine,sulfdurazin,3-sulfa-6-methoxypyridazine PubChem CID: 5330 ChEBI: CHEBI:102516 IUPAC Name: 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide SMILES: COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 5330
CAS 80-35-3
Molecular Weight (g/mol) 280.3
ChEBI CHEBI:102516
SMILES COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym sulfamethoxypyridazine,sulphamethoxypyridazine,sulfapyridazine,sulfalex,longin,midicel,sulfametoxipiridazine,spofadazine,sulfdurazin,3-sulfa-6-methoxypyridazine
IUPAC Name 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
InChI Key VLYWMPOKSSWJAL-UHFFFAOYSA-N
Molecular Formula C11H12N4O3S
2
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1,4-Benzenedimethanethiol, Thermo Scientific Chemicals

CAS: 105-09-9 Molecular Formula: C8H10S2 Molecular Weight (g/mol): 170.29 InChI Key: IYPNRTQAOXLCQW-UHFFFAOYSA-N IUPAC Name: [4-(sulfanylmethyl)phenyl]methanethiol SMILES: SCC1=CC=C(CS)C=C1

CAS 105-09-9
Molecular Weight (g/mol) 170.29
SMILES SCC1=CC=C(CS)C=C1
IUPAC Name [4-(sulfanylmethyl)phenyl]methanethiol
InChI Key IYPNRTQAOXLCQW-UHFFFAOYSA-N
Molecular Formula C8H10S2
3
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Thioisonicotinamide, 97%, Thermo Scientific™

CAS: 2196-13-6 Molecular Formula: C6H6N2S Molecular Weight (g/mol): 138.19 MDL Number: MFCD00006437 InChI Key: KPIIGXWUNXGGCP-UHFFFAOYSA-N Synonym: thioisonicotinamide,4-pyridinecarbothioamide,isothionicotinamide,4-pyridylthiocarboxamide,4-pyridylthioamide,thio-4-pyridinecarboxamide,isonicotinic acid thioamide,pyridine-4-thioamide,4-pyridinecarboxamide, thio,isonicotinamide, thio PubChem CID: 2723788 IUPAC Name: pyridine-4-carbothioamide SMILES: C1=CN=CC=C1C(=S)N

PubChem CID 2723788
CAS 2196-13-6
Molecular Weight (g/mol) 138.19
MDL Number MFCD00006437
SMILES C1=CN=CC=C1C(=S)N
Synonym thioisonicotinamide,4-pyridinecarbothioamide,isothionicotinamide,4-pyridylthiocarboxamide,4-pyridylthioamide,thio-4-pyridinecarboxamide,isonicotinic acid thioamide,pyridine-4-thioamide,4-pyridinecarboxamide, thio,isonicotinamide, thio
IUPAC Name pyridine-4-carbothioamide
InChI Key KPIIGXWUNXGGCP-UHFFFAOYSA-N
Molecular Formula C6H6N2S
4
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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

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
5

2-(Methylthio)ethylamine, Thermo Scientific™

CAS: 18542-42-2 Molecular Formula: C3H9NS Molecular Weight (g/mol): 91.172 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

PubChem CID 87697
CAS 18542-42-2
Molecular Weight (g/mol) 91.172
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
Molecular Formula C3H9NS
6
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2-Thiouracil, 99%, Thermo Scientific Chemicals

CAS: 141-90-2 Molecular Formula: C4H4N2OS Molecular Weight (g/mol): 128.15 MDL Number: MFCD00006039 InChI Key: ZEMGGZBWXRYJHK-UHFFFAOYSA-N Synonym: 2-thiouracil,thiouracil,4-hydroxy-2-mercaptopyrimidine,antagothyroid,antagothyroil,deracil,nobilen,2-thioxo-2,3-dihydropyrimidin-4 1h-one,2-mercaptopyrimidin-4-ol,2-mercapto-4-hydroxypyrimidine PubChem CID: 1269845 ChEBI: CHEBI:348530 IUPAC Name: 2-sulfanylidene-1H-pyrimidin-4-one SMILES: O=C1NC(=S)NC=C1

PubChem CID 1269845
CAS 141-90-2
Molecular Weight (g/mol) 128.15
ChEBI CHEBI:348530
MDL Number MFCD00006039
SMILES O=C1NC(=S)NC=C1
Synonym 2-thiouracil,thiouracil,4-hydroxy-2-mercaptopyrimidine,antagothyroid,antagothyroil,deracil,nobilen,2-thioxo-2,3-dihydropyrimidin-4 1h-one,2-mercaptopyrimidin-4-ol,2-mercapto-4-hydroxypyrimidine
IUPAC Name 2-sulfanylidene-1H-pyrimidin-4-one
InChI Key ZEMGGZBWXRYJHK-UHFFFAOYSA-N
Molecular Formula C4H4N2OS
7

Ethyl thiooxamate, 95%, Thermo Scientific Chemicals

CAS: 16982-21-1 Molecular Formula: C4H7NO2S Molecular Weight (g/mol): 133.17 MDL Number: MFCD00074903 InChI Key: YMBMCMOZIGSBOA-UHFFFAOYSA-N Synonym: ethyl 2-amino-2-thioxoacetate,ethyl carbamothioylformate,ethyl thioxamate,ethyl thiooxamidate,ethyl amino thioxo acetate,ethyl thiooxamat,ethyl aminothioxoacetate,ethyl 2-thiooxamate,acetic acid, aminothioxo-, ethyl ester,thiooxamic acid ethyl ester PubChem CID: 2733398 IUPAC Name: ethyl 2-amino-2-sulfanylideneacetate SMILES: CCOC(=O)C(=S)N

PubChem CID 2733398
CAS 16982-21-1
Molecular Weight (g/mol) 133.17
MDL Number MFCD00074903
SMILES CCOC(=O)C(=S)N
Synonym ethyl 2-amino-2-thioxoacetate,ethyl carbamothioylformate,ethyl thioxamate,ethyl thiooxamidate,ethyl amino thioxo acetate,ethyl thiooxamat,ethyl aminothioxoacetate,ethyl 2-thiooxamate,acetic acid, aminothioxo-, ethyl ester,thiooxamic acid ethyl ester
IUPAC Name ethyl 2-amino-2-sulfanylideneacetate
InChI Key YMBMCMOZIGSBOA-UHFFFAOYSA-N
Molecular Formula C4H7NO2S
8
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Sulfachloropyridazine sodium, 97%, Thermo Scientific™

CAS: 23282-55-5 Molecular Formula: C10H8ClN4NaO2S Molecular Weight (g/mol): 306.7 InChI Key: GHQJXOBLWKFNAD-UHFFFAOYSA-N PubChem CID: 87077948 IUPAC Name: 4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide;sodium SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl.[Na]

PubChem CID 87077948
CAS 23282-55-5
Molecular Weight (g/mol) 306.7
SMILES C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl.[Na]
IUPAC Name 4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide;sodium
InChI Key GHQJXOBLWKFNAD-UHFFFAOYSA-N
Molecular Formula C10H8ClN4NaO2S
9

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
10
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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

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
11

3,4-Dimethoxyphenethyl isothiocyanate, 95%, Thermo Scientific™

CAS: 21714-25-0 Molecular Formula: C11H13NO2S Molecular Weight (g/mol): 223.29 MDL Number: MFCD00041366 InChI Key: GHYFLDWHIVKQLS-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenethyl isothiocyanate,4-2-isothiocyanatoethyl-1,2-dimethoxybenzene,2-3,4-dimethoxyphenyl ethyl isothiocyanate,benzene, 4-2-isothiocyanatoethyl-1,2-dimethoxy,2-3,4-dimethoxyphenyl ethanisothiocyanate,acmc-20anep,3,4-dimethoxyphenethylisothiocyanate,b-3,4-dimethoxyphenyl ethyl isothiocyanate,3,4-dimethoxy-1-2-isothiocyanatoethyl benzene,4-2-isothiocyanatoethyl-1,2-dimethoxy-benzene PubChem CID: 140856 IUPAC Name: 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene SMILES: COC1=CC=C(CCN=C=S)C=C1OC

PubChem CID 140856
CAS 21714-25-0
Molecular Weight (g/mol) 223.29
MDL Number MFCD00041366
SMILES COC1=CC=C(CCN=C=S)C=C1OC
Synonym 3,4-dimethoxyphenethyl isothiocyanate,4-2-isothiocyanatoethyl-1,2-dimethoxybenzene,2-3,4-dimethoxyphenyl ethyl isothiocyanate,benzene, 4-2-isothiocyanatoethyl-1,2-dimethoxy,2-3,4-dimethoxyphenyl ethanisothiocyanate,acmc-20anep,3,4-dimethoxyphenethylisothiocyanate,b-3,4-dimethoxyphenyl ethyl isothiocyanate,3,4-dimethoxy-1-2-isothiocyanatoethyl benzene,4-2-isothiocyanatoethyl-1,2-dimethoxy-benzene
IUPAC Name 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene
InChI Key GHYFLDWHIVKQLS-UHFFFAOYSA-N
Molecular Formula C11H13NO2S
12
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4-Ethylphenyl isothiocyanate, 97%, Thermo Scientific Chemicals

CAS: 18856-63-8 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.24 MDL Number: MFCD00041101 InChI Key: XXLWCGRHJFEMQH-UHFFFAOYSA-N Synonym: 4-ethylphenyl isothiocyanate,1-ethyl-4-isothiocyanato-benzene,benzene,1-ethyl-4-isothiocyanato,4-ethylbenzenisothiocyanate,acmc-20amit,2-p-isothio-cyanatophenyl ethane,# PubChem CID: 140438 IUPAC Name: 1-ethyl-4-isothiocyanatobenzene SMILES: CCC1=CC=C(C=C1)N=C=S

PubChem CID 140438
CAS 18856-63-8
Molecular Weight (g/mol) 163.24
MDL Number MFCD00041101
SMILES CCC1=CC=C(C=C1)N=C=S
Synonym 4-ethylphenyl isothiocyanate,1-ethyl-4-isothiocyanato-benzene,benzene,1-ethyl-4-isothiocyanato,4-ethylbenzenisothiocyanate,acmc-20amit,2-p-isothio-cyanatophenyl ethane,#
IUPAC Name 1-ethyl-4-isothiocyanatobenzene
InChI Key XXLWCGRHJFEMQH-UHFFFAOYSA-N
Molecular Formula C9H9NS
13

Monastrol, 98%, Thermo Scientific Chemicals

CAS: 329689-23-8 Molecular Formula: C14H16N2O3S Molecular Weight (g/mol): 292.353 MDL Number: MFCD00813077 InChI Key: LOBCDGHHHHGHFA-UHFFFAOYSA-N Synonym: monastrol,ethyl 4-3-hydroxyphenyl-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate,4-3-hydroxyphenyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4h-pyrimidin-5-carboxylic acid ethyl ester,d0zk2g,monastrol hplc , solid,inverted exclamation marka-monastrol,6-methyl-4-3-hydroxyphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate,ethyl 6-3-hydroxyphenyl-2-mercapto-4-methyl-1,6-dihydropyrimidine-5-carboxylate,ethyl 6-3-hydroxyphenyl-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate,ethyl 6-3-hydroxyphenyl-4-methyl-2-thioxo-1,3,6-trihydropyrimidine-5-carboxy late PubChem CID: 2987927 ChEBI: CHEBI:75382 IUPAC Name: ethyl 4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate SMILES: CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C

PubChem CID 2987927
CAS 329689-23-8
Molecular Weight (g/mol) 292.353
ChEBI CHEBI:75382
MDL Number MFCD00813077
SMILES CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C
Synonym monastrol,ethyl 4-3-hydroxyphenyl-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate,4-3-hydroxyphenyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4h-pyrimidin-5-carboxylic acid ethyl ester,d0zk2g,monastrol hplc , solid,inverted exclamation marka-monastrol,6-methyl-4-3-hydroxyphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate,ethyl 6-3-hydroxyphenyl-2-mercapto-4-methyl-1,6-dihydropyrimidine-5-carboxylate,ethyl 6-3-hydroxyphenyl-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate,ethyl 6-3-hydroxyphenyl-4-methyl-2-thioxo-1,3,6-trihydropyrimidine-5-carboxy late
IUPAC Name ethyl 4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI Key LOBCDGHHHHGHFA-UHFFFAOYSA-N
Molecular Formula C14H16N2O3S
14

Cyclopentyl isothiocyanate, 97%, Thermo Scientific™

CAS: 33522-03-1 Molecular Formula: C6H9NS Molecular Weight (g/mol): 127.205 MDL Number: MFCD00040877 InChI Key: PJOODZCPFADLCI-UHFFFAOYSA-N Synonym: cyclopentyl isothiocyanate,cyclopentane, isothiocyanato,isothiocyanato-cyclopentane,cyclopentanisothiocyanate,cyclopentylisothiocyanate,acmc-20albz PubChem CID: 141792 IUPAC Name: isothiocyanatocyclopentane SMILES: C1CCC(C1)N=C=S

PubChem CID 141792
CAS 33522-03-1
Molecular Weight (g/mol) 127.205
MDL Number MFCD00040877
SMILES C1CCC(C1)N=C=S
Synonym cyclopentyl isothiocyanate,cyclopentane, isothiocyanato,isothiocyanato-cyclopentane,cyclopentanisothiocyanate,cyclopentylisothiocyanate,acmc-20albz
IUPAC Name isothiocyanatocyclopentane
InChI Key PJOODZCPFADLCI-UHFFFAOYSA-N
Molecular Formula C6H9NS
15

Methyl aminomethanimidothioate hydroiodide, 95%, Thermo Scientific™

CAS: 4338-95-8 Molecular Formula: C2H7IN2S Molecular Weight (g/mol): 218.06 MDL Number: MFCD00035598 InChI Key: LFXAECSQJSRSTP-UHFFFAOYSA-N Synonym: methyl aminomethanimidothioate hydroiodide,sulfiode,methylthiouronium iodide,methyl carbamimidothioate hydroiodide,s-methylthiuronium iodide,s-methylthiouronium iodide,s-methylisothiouronium iodide,2-methyl-2-thiopseudourea hydroiodide,2-methylisothiouronium iodide,s-methylisothiourea hydriodide PubChem CID: 197812 SMILES: [H+].[I-].CSC(N)=N

PubChem CID 197812
CAS 4338-95-8
Molecular Weight (g/mol) 218.06
MDL Number MFCD00035598
SMILES [H+].[I-].CSC(N)=N
Synonym methyl aminomethanimidothioate hydroiodide,sulfiode,methylthiouronium iodide,methyl carbamimidothioate hydroiodide,s-methylthiuronium iodide,s-methylthiouronium iodide,s-methylisothiouronium iodide,2-methyl-2-thiopseudourea hydroiodide,2-methylisothiouronium iodide,s-methylisothiourea hydriodide
InChI Key LFXAECSQJSRSTP-UHFFFAOYSA-N
Molecular Formula C2H7IN2S