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Organosulfur Compounds

Organic compounds that contain one or more sulfur atoms, or sulfur-containing functional groups.
Allyl sulfur compounds (5)
Imidothioesters (5)
Isothiocyanates (37)
Isothioureas (11)
Organic disulfides (15)
Organic trisulfides (2)
Sulfenyl compounds (41)
Sulfonyls (17)
Sulfoxides (16)
Thiocarbonyl compounds (18)
Thiocyanates (3)
Thioethers (56)
Thiohemiaminal derivatives (3)
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Thioureas (9)

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1 – 15 of 121 results
1
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S-Methyl methanethiolsulfonate, 97%

CAS: 2949-92-0 Molecular Formula: C2H6O2S2 Molecular Weight (g/mol): 126.19 MDL Number: MFCD00007565 InChI Key: XYONNSVDNIRXKZ-UHFFFAOYSA-N Synonym: s-methyl methanethiosulfonate,methyl methanethiolsulfonate,methyl methanethiosulfonate,s-methyl methanesulfonothioate,methanesulfonothioic acid, s-methyl ester,methyl methanesulfonothioate,s-methyl methanethiolsulfonate,methanethiosulfonic acid s-methyl ester,s-methyl methanethiosulphonate,methanesulfonylsulfanyl methane PubChem CID: 18064 ChEBI: CHEBI:74357 IUPAC Name: methylsulfonylsulfanylmethane SMILES: CSS(=O)(=O)C

PubChem CID 18064
CAS 2949-92-0
Molecular Weight (g/mol) 126.19
ChEBI CHEBI:74357
MDL Number MFCD00007565
SMILES CSS(=O)(=O)C
Synonym s-methyl methanethiosulfonate,methyl methanethiolsulfonate,methyl methanethiosulfonate,s-methyl methanesulfonothioate,methanesulfonothioic acid, s-methyl ester,methyl methanesulfonothioate,s-methyl methanethiolsulfonate,methanethiosulfonic acid s-methyl ester,s-methyl methanethiosulphonate,methanesulfonylsulfanyl methane
IUPAC Name methylsulfonylsulfanylmethane
InChI Key XYONNSVDNIRXKZ-UHFFFAOYSA-N
Molecular Formula C2H6O2S2
2

N,S-Dimethylisothiouronium hydriodide, 98%

CAS: 41306-45-0 Molecular Formula: C3H9IN2S Molecular Weight (g/mol): 232.083 MDL Number: MFCD00192092 InChI Key: UDUMWDDMSHXGGQ-UHFFFAOYSA-N Synonym: 1,2-dimethyl-2-thiopseudourea hydriodide,1,2-dimethylisothiourea hydriodate,n,s-dimethyl-isothiourea hydroiodide,1,2-dimethyl-isothiourea hydroiodide,n,s-dimethylisothiouronium hydriodide,iminomethylthiomethyl methylamine, iodide,1,2-dimethyl-2-thiopseudoureahydriodide,n-methyl methylsulfanyl methanimidamide hydroiodide,n'-methyl methylsulfanyl methanimidamide hydroiodide PubChem CID: 12263909 IUPAC Name: methyl N'-methylcarbamimidothioate;hydroiodide SMILES: CN=C(N)SC.I

PubChem CID 12263909
CAS 41306-45-0
Molecular Weight (g/mol) 232.083
MDL Number MFCD00192092
SMILES CN=C(N)SC.I
Synonym 1,2-dimethyl-2-thiopseudourea hydriodide,1,2-dimethylisothiourea hydriodate,n,s-dimethyl-isothiourea hydroiodide,1,2-dimethyl-isothiourea hydroiodide,n,s-dimethylisothiouronium hydriodide,iminomethylthiomethyl methylamine, iodide,1,2-dimethyl-2-thiopseudoureahydriodide,n-methyl methylsulfanyl methanimidamide hydroiodide,n'-methyl methylsulfanyl methanimidamide hydroiodide
IUPAC Name methyl N'-methylcarbamimidothioate;hydroiodide
InChI Key UDUMWDDMSHXGGQ-UHFFFAOYSA-N
Molecular Formula C3H9IN2S
3

S-(2-Aminoethyl)isothiourea dihydrobromide, 98%

CAS: 56-10-0 Molecular Formula: C3H11Br2N3S Molecular Weight (g/mol): 281.01 MDL Number: MFCD00037011 InChI Key: XDVMCVGTDUKDHL-UHFFFAOYSA-N Synonym: 2-2-aminoethyl isothiourea dihydrobromide,antiradon,antirad,surrectan,ixecur,2-aminoethyl carbamimidothioate dihydrobromide,usaf xr-31,2-2-aminoethyl-2-thiopseudourea dihydrobromide,2-aminoethylisothiouronium dibromide,carbamimidothioic acid, 2-aminoethyl ester, dihydrobromide PubChem CID: 5940 IUPAC Name: 2-aminoethyl carbamimidothioate;dihydrobromide SMILES: C(CSC(=N)N)N.Br.Br

PubChem CID 5940
CAS 56-10-0
Molecular Weight (g/mol) 281.01
MDL Number MFCD00037011
SMILES C(CSC(=N)N)N.Br.Br
Synonym 2-2-aminoethyl isothiourea dihydrobromide,antiradon,antirad,surrectan,ixecur,2-aminoethyl carbamimidothioate dihydrobromide,usaf xr-31,2-2-aminoethyl-2-thiopseudourea dihydrobromide,2-aminoethylisothiouronium dibromide,carbamimidothioic acid, 2-aminoethyl ester, dihydrobromide
IUPAC Name 2-aminoethyl carbamimidothioate;dihydrobromide
InChI Key XDVMCVGTDUKDHL-UHFFFAOYSA-N
Molecular Formula C3H11Br2N3S
4

S-Boc-2-mercapto-4,6-dimethylpyrimidine, 97%

CAS: 41840-28-2 Molecular Formula: C11H16N2O2S Molecular Weight (g/mol): 240.32 MDL Number: MFCD00006080 InChI Key: POTDIELOEHTPJN-UHFFFAOYSA-N Synonym: s-boc-2-mercapto-4,6-dimethylpyrimidine,ccris 2600,2-tert-butoxycarbonylthio-4,6-dimethylpyrimidine,2-boc-thio-4,6-dimethylpyrimidine,tert-butyl s-4,6-dimethylpyrimidin-2-yl thiocarbonate,tert-butyl s-4,6-dimethylpyrimidin-2-yl thiolcarbonate,o-tert-butyl s-4,6-dimethylpyrimidin-2-yl carbonothioate,carbonothioic acid, o-1,1-dimethylethyl s-4,6-dimethyl-2-pyrimidinyl ester,tert-butyl 4,6-dimethylpyrimidin-2-yl sulfanylformate,thiocarbonic acid, o-tert-butyl s-4,6-dimethyl-2-pyrimidinyl ester PubChem CID: 148428 IUPAC Name: tert-butyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate SMILES: CC1=CC(C)=NC(SC(=O)OC(C)(C)C)=N1

PubChem CID 148428
CAS 41840-28-2
Molecular Weight (g/mol) 240.32
MDL Number MFCD00006080
SMILES CC1=CC(C)=NC(SC(=O)OC(C)(C)C)=N1
Synonym s-boc-2-mercapto-4,6-dimethylpyrimidine,ccris 2600,2-tert-butoxycarbonylthio-4,6-dimethylpyrimidine,2-boc-thio-4,6-dimethylpyrimidine,tert-butyl s-4,6-dimethylpyrimidin-2-yl thiocarbonate,tert-butyl s-4,6-dimethylpyrimidin-2-yl thiolcarbonate,o-tert-butyl s-4,6-dimethylpyrimidin-2-yl carbonothioate,carbonothioic acid, o-1,1-dimethylethyl s-4,6-dimethyl-2-pyrimidinyl ester,tert-butyl 4,6-dimethylpyrimidin-2-yl sulfanylformate,thiocarbonic acid, o-tert-butyl s-4,6-dimethyl-2-pyrimidinyl ester
IUPAC Name tert-butyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate
InChI Key POTDIELOEHTPJN-UHFFFAOYSA-N
Molecular Formula C11H16N2O2S
5

(S)-3-Boc-thiazolidine-2-carboxylic acid, 97%

CAS: 891192-95-3 Molecular Formula: C9H15NO4S Molecular Weight (g/mol): 233.282 MDL Number: MFCD02682342 InChI Key: HYAXPNDMEODKHI-LURJTMIESA-N Synonym: s-3-boc-2-thiazolidinecarboxylic acid,s-3-tert-butoxycarbonyl thiazolidine-2-carboxylic acid,2s-3-tert-butoxycarbonyl-1,3-thiazolidine-2-carboxylic acid,2,3-thiazolidinedicarboxylic acid, 3-1,1-dimethylethyl ester, 2s,s-3-boc-thiazolidine-2-carboxylic acid,n-boc s thiazolidine-2-carboxylic acid,n-boc-s-thiazolidine-2-carboxylic acid,s-thiazolidine-2,3-dicarboxylic acid 3-tert-butyl ester,2s-3-tert-butoxy carbonyl-1,3-thiazolidine-2-carboxylic acid,2s-2,3-thiazolidinedicarboxylic acid, 3-1,1-dimethylethyl ester PubChem CID: 14775612 IUPAC Name: (2S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-2-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCSC1C(=O)O

PubChem CID 14775612
CAS 891192-95-3
Molecular Weight (g/mol) 233.282
MDL Number MFCD02682342
SMILES CC(C)(C)OC(=O)N1CCSC1C(=O)O
Synonym s-3-boc-2-thiazolidinecarboxylic acid,s-3-tert-butoxycarbonyl thiazolidine-2-carboxylic acid,2s-3-tert-butoxycarbonyl-1,3-thiazolidine-2-carboxylic acid,2,3-thiazolidinedicarboxylic acid, 3-1,1-dimethylethyl ester, 2s,s-3-boc-thiazolidine-2-carboxylic acid,n-boc s thiazolidine-2-carboxylic acid,n-boc-s-thiazolidine-2-carboxylic acid,s-thiazolidine-2,3-dicarboxylic acid 3-tert-butyl ester,2s-3-tert-butoxy carbonyl-1,3-thiazolidine-2-carboxylic acid,2s-2,3-thiazolidinedicarboxylic acid, 3-1,1-dimethylethyl ester
IUPAC Name (2S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-2-carboxylic acid
InChI Key HYAXPNDMEODKHI-LURJTMIESA-N
Molecular Formula C9H15NO4S
6

Demeton-S Sulfoxide, TRC

CAS: 2496-92-6 Molecular Formula: C8 H19 O4 P S2 Molecular Weight (g/mol): 274.34 Synonym: Phosphorothioic acid, O,O-diethyl S-[2-(ethylsulfinyl)ethyl] ester,Ethanethiol, 2-(ethylsulfinyl)-, S-ester with O,O-diethyl phosphorothioate (8CI),Demeton-S sulfoxide,Isosystox sulfoxide,O,O-Diethyl S-[2-(ethylsulfinyl)ethyl] phosphorothioate,Systox sulfoxide IUPAC Name: 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane SMILES: CCOP(=O)(OCC)SCCS(=O)CC

CAS 2496-92-6
Molecular Weight (g/mol) 274.34
SMILES CCOP(=O)(OCC)SCCS(=O)CC
Synonym Phosphorothioic acid, O,O-diethyl S-[2-(ethylsulfinyl)ethyl] ester,Ethanethiol, 2-(ethylsulfinyl)-, S-ester with O,O-diethyl phosphorothioate (8CI),Demeton-S sulfoxide,Isosystox sulfoxide,O,O-Diethyl S-[2-(ethylsulfinyl)ethyl] phosphorothioate,Systox sulfoxide
IUPAC Name 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane
Molecular Formula C8 H19 O4 P S2
7

S-Methyl-N,N-diethylthiocarbamate Sulfoxide, TRC

CAS: 140703-15-7 Molecular Formula: C6 H13 N O2 S Molecular Weight (g/mol): 163.24 Synonym: Disulfiram Impurity 4 IUPAC Name: N,N-diethyl-1-methylsulfinylformamide SMILES: CCN(CC)C(=O)S(=O)C

CAS 140703-15-7
Molecular Weight (g/mol) 163.24
SMILES CCN(CC)C(=O)S(=O)C
Synonym Disulfiram Impurity 4
IUPAC Name N,N-diethyl-1-methylsulfinylformamide
Molecular Formula C6 H13 N O2 S
8

S-Methyl N,N-Diethylthiocarbamate, TRC

CAS: 37174-63-3 Molecular Formula: C6 H13 N O S Molecular Weight (g/mol): 147.24 Synonym: Disulfiram Impurity 3 IUPAC Name: S-methyl N,N-diethylcarbamothioate SMILES: CCN(CC)C(=O)SC

CAS 37174-63-3
Molecular Weight (g/mol) 147.24
SMILES CCN(CC)C(=O)SC
Synonym Disulfiram Impurity 3
IUPAC Name S-methyl N,N-diethylcarbamothioate
Molecular Formula C6 H13 N O S
10
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Cystamine Dihydrochloride, 97%

CAS: 56-17-7 Molecular Formula: C4H12N2S2·2HCl Molecular Weight (g/mol): 225.2 MDL Number: MFCD00012905 InChI Key: YUFRRMZSSPQMOS-UHFFFAOYSA-N Synonym: cystamine dihydrochloride,cystamin dihydrochloride,ethanamine, 2,2'-dithiobis-, dihydrochloride,usaf cb-34,2,2'-disulfanediyldiethanamine dihydrochloride,2-aminoethyl disulfide dihydrochloride,bis 2-aminoethyl disulfide dihydrochloride,cystamine 2hcl,2,2'-dithiodi ethylammonium dichloride,decarboxycystine dihydrochloride PubChem CID: 5941 IUPAC Name: 2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride SMILES: C(CSSCCN)N.Cl.Cl

EDGE
PubChem CID 5941
CAS 56-17-7
Molecular Weight (g/mol) 225.2
MDL Number MFCD00012905
SMILES C(CSSCCN)N.Cl.Cl
Synonym cystamine dihydrochloride,cystamin dihydrochloride,ethanamine, 2,2'-dithiobis-, dihydrochloride,usaf cb-34,2,2'-disulfanediyldiethanamine dihydrochloride,2-aminoethyl disulfide dihydrochloride,bis 2-aminoethyl disulfide dihydrochloride,cystamine 2hcl,2,2'-dithiodi ethylammonium dichloride,decarboxycystine dihydrochloride
IUPAC Name 2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride
InChI Key YUFRRMZSSPQMOS-UHFFFAOYSA-N
Molecular Formula C4H12N2S2·2HCl
11
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Dithiooxamide, 98%

CAS: 79-40-3 Molecular Formula: C2H4N2S2 Molecular Weight (g/mol): 120.19 InChI Key: OAEGRYMCJYIXQT-UHFFFAOYSA-N Synonym: dithiooxamide,rubeanic acid,ethanebis thioamide,oxamide, dithio,dithioxamide,rubeane,rubean,hydrorubeanic acid,oxaldiimidic acid, dithio,usaf mk-6 PubChem CID: 2777982 IUPAC Name: ethanedithioamide SMILES: C(=S)(C(=S)N)N

EDGE
PubChem CID 2777982
CAS 79-40-3
Molecular Weight (g/mol) 120.19
SMILES C(=S)(C(=S)N)N
Synonym dithiooxamide,rubeanic acid,ethanebis thioamide,oxamide, dithio,dithioxamide,rubeane,rubean,hydrorubeanic acid,oxaldiimidic acid, dithio,usaf mk-6
IUPAC Name ethanedithioamide
InChI Key OAEGRYMCJYIXQT-UHFFFAOYSA-N
Molecular Formula C2H4N2S2
12

Tetrahydrothiophene 1-oxide, 97%

CAS: 1600-44-8 Molecular Formula: C4H8OS Molecular Weight (g/mol): 104.167 MDL Number: MFCD00005477 InChI Key: ISXOBTBCNRIIQO-UHFFFAOYSA-N Synonym: tetramethylene sulfoxide,tetrahydrothiophene 1-oxide,thiophane oxide,tetrahydrothiophene oxide,thiophane monoxide,thiophane 1-oxide,thiophene, tetrahydro-, 1-oxide,tetramethylene sulphoxide,thiophene, tetrahydro, 1-oxide,tetrametylene sulfoxide PubChem CID: 1128 IUPAC Name: thiolane 1-oxide SMILES: C1CCS(=O)C1

PubChem CID 1128
CAS 1600-44-8
Molecular Weight (g/mol) 104.167
MDL Number MFCD00005477
SMILES C1CCS(=O)C1
Synonym tetramethylene sulfoxide,tetrahydrothiophene 1-oxide,thiophane oxide,tetrahydrothiophene oxide,thiophane monoxide,thiophane 1-oxide,thiophene, tetrahydro-, 1-oxide,tetramethylene sulphoxide,thiophene, tetrahydro, 1-oxide,tetrametylene sulfoxide
IUPAC Name thiolane 1-oxide
InChI Key ISXOBTBCNRIIQO-UHFFFAOYSA-N
Molecular Formula C4H8OS
13

Imetit dihydrobromide, 98%

CAS: 32385-58-3 Molecular Formula: C6H12Br2N4S Molecular Weight (g/mol): 332.06 MDL Number: MFCD00153816 InChI Key: DOBOYMKCRRLTRF-UHFFFAOYSA-N Synonym: imetit dihydrobromide,imetit hydrobromide,s-2-imidazol-4-yl ethyl isothiourea,s-2-1h-imidazol-4-yl ethyl isothiourea dihydrobromide,2-1h-imidazol-4-yl ethyl carbamimidothioate dihydrobromide,s-2-imidazol-4-yl ethyl isothiourea dihydrobromide,imetit dihydrobromide hplc,s-2-imidazol-4-yl ethyl isothiourea 2hbr,s-2-imidazol-4-yl ethyl isothiourea dihydrochloride,2-2-1h-imidazol-5-yl ethyl isothiourea dihydrobromide PubChem CID: 11957573 ChEBI: CHEBI:64151 IUPAC Name: 2-(1H-imidazol-5-yl)ethyl carbamimidothioate;dihydrobromide SMILES: Br.Br.NC(=N)SCCC1=CN=CN1

PubChem CID 11957573
CAS 32385-58-3
Molecular Weight (g/mol) 332.06
ChEBI CHEBI:64151
MDL Number MFCD00153816
SMILES Br.Br.NC(=N)SCCC1=CN=CN1
Synonym imetit dihydrobromide,imetit hydrobromide,s-2-imidazol-4-yl ethyl isothiourea,s-2-1h-imidazol-4-yl ethyl isothiourea dihydrobromide,2-1h-imidazol-4-yl ethyl carbamimidothioate dihydrobromide,s-2-imidazol-4-yl ethyl isothiourea dihydrobromide,imetit dihydrobromide hplc,s-2-imidazol-4-yl ethyl isothiourea 2hbr,s-2-imidazol-4-yl ethyl isothiourea dihydrochloride,2-2-1h-imidazol-5-yl ethyl isothiourea dihydrobromide
IUPAC Name 2-(1H-imidazol-5-yl)ethyl carbamimidothioate;dihydrobromide
InChI Key DOBOYMKCRRLTRF-UHFFFAOYSA-N
Molecular Formula C6H12Br2N4S
14
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4,4'-Dithiodipyridine, 98%

CAS: 2645-22-9 Molecular Formula: C10H8N2S2 Molecular Weight (g/mol): 220.32 MDL Number: MFCD00006423 InChI Key: UHBAPGWWRFVTFS-UHFFFAOYSA-N Synonym: 4,4'-dithiodipyridine,4,4'-dipyridyl disulfide,1,2-di pyridin-4-yl disulfane,aldrithiol-4,pyridine, 4,4'-dithiobis,4,4'-dithiopyridine,di 4-pyridyl disulfide,aldrithiol 4,di 4-pyridinyl disulfide,4,4'-dipyridine disulfide PubChem CID: 75846 ChEBI: CHEBI:41814 IUPAC Name: 4-(pyridin-4-yldisulfanyl)pyridine SMILES: C1=CN=CC=C1SSC2=CC=NC=C2

PubChem CID 75846
CAS 2645-22-9
Molecular Weight (g/mol) 220.32
ChEBI CHEBI:41814
MDL Number MFCD00006423
SMILES C1=CN=CC=C1SSC2=CC=NC=C2
Synonym 4,4'-dithiodipyridine,4,4'-dipyridyl disulfide,1,2-di pyridin-4-yl disulfane,aldrithiol-4,pyridine, 4,4'-dithiobis,4,4'-dithiopyridine,di 4-pyridyl disulfide,aldrithiol 4,di 4-pyridinyl disulfide,4,4'-dipyridine disulfide
IUPAC Name 4-(pyridin-4-yldisulfanyl)pyridine
InChI Key UHBAPGWWRFVTFS-UHFFFAOYSA-N
Molecular Formula C10H8N2S2
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