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Thiocarbonyl compounds

Organosulfur compounds that contain a carbon atom bonded to one or more thiocarbonyl functional groups, which consist of a carbon atom bonded to a sulfur atom via a double bond (C=S); thiocarbonyls are considered the sulfur analog of carbonyls.
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1
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Thioacetamide, 99+%, ACS reagent

CAS: 62-55-5 Molecular Formula: C2H5NS Molecular Weight (g/mol): 75.13 MDL Number: MFCD00008070 InChI Key: YUKQRDCYNOVPGJ-UHFFFAOYSA-N Synonym: thioacetamide,acetothioamide,thiacetamide,acetamide, thio,thioacetimidic acid,acetimidic acid, thio,usaf cb-21,usaf ek-1719,rcra waste number u218,acetic acid, thiono-, amide PubChem CID: 2723949 ChEBI: CHEBI:32497 IUPAC Name: ethanethioamide SMILES: CC(N)=S

PubChem CID 2723949
CAS 62-55-5
Molecular Weight (g/mol) 75.13
ChEBI CHEBI:32497
MDL Number MFCD00008070
SMILES CC(N)=S
Synonym thioacetamide,acetothioamide,thiacetamide,acetamide, thio,thioacetimidic acid,acetimidic acid, thio,usaf cb-21,usaf ek-1719,rcra waste number u218,acetic acid, thiono-, amide
IUPAC Name ethanethioamide
InChI Key YUKQRDCYNOVPGJ-UHFFFAOYSA-N
Molecular Formula C2H5NS
2
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2-Pyridinethioamide, 97%

CAS: 5346-38-3 Molecular Formula: C6H6N2S Molecular Weight (g/mol): 138.19 MDL Number: MFCD00087576 InChI Key: HYKQYVSNFPWGKQ-UHFFFAOYSA-N Synonym: thiopicolinamide,2-pyridinecarbothioamide,pyridine-2-thioamide,pyridine-2-carbothioic acid amide,picolinamide, thio,2-pyridinethiocarboxamide,picolinothioamide,2-thiopicolinamide,pyridinecarbothioamide,2-thiocarbamoylpyridine PubChem CID: 1549499 IUPAC Name: pyridine-2-carbothioamide SMILES: NC(=S)C1=CC=CC=N1

PubChem CID 1549499
CAS 5346-38-3
Molecular Weight (g/mol) 138.19
MDL Number MFCD00087576
SMILES NC(=S)C1=CC=CC=N1
Synonym thiopicolinamide,2-pyridinecarbothioamide,pyridine-2-thioamide,pyridine-2-carbothioic acid amide,picolinamide, thio,2-pyridinethiocarboxamide,picolinothioamide,2-thiopicolinamide,pyridinecarbothioamide,2-thiocarbamoylpyridine
IUPAC Name pyridine-2-carbothioamide
InChI Key HYKQYVSNFPWGKQ-UHFFFAOYSA-N
Molecular Formula C6H6N2S
3
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2-Cyanothioacetamide, 97%

CAS: 7357-70-2 Molecular Formula: C3H4N2S Molecular Weight (g/mol): 100.14 MDL Number: MFCD00010025 InChI Key: BHPYMZQTCPRLNR-UHFFFAOYSA-N Synonym: 2-cyanothioacetamide,cyanothioacetamide,ethanethioamide, 2-cyano,cyano thioacetamide,2-cyano-thioacetamide,3-amino-3-thioxopropanenitrile,cyanthioacetamide,cyanoacetothioamide,2-cyanothioactamide,alpha-cyanothioacetamide PubChem CID: 1416277 IUPAC Name: 2-cyanoethanethioamide SMILES: NC(=S)CC#N

PubChem CID 1416277
CAS 7357-70-2
Molecular Weight (g/mol) 100.14
MDL Number MFCD00010025
SMILES NC(=S)CC#N
Synonym 2-cyanothioacetamide,cyanothioacetamide,ethanethioamide, 2-cyano,cyano thioacetamide,2-cyano-thioacetamide,3-amino-3-thioxopropanenitrile,cyanthioacetamide,cyanoacetothioamide,2-cyanothioactamide,alpha-cyanothioacetamide
IUPAC Name 2-cyanoethanethioamide
InChI Key BHPYMZQTCPRLNR-UHFFFAOYSA-N
Molecular Formula C3H4N2S
4
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Thiobenzamide, 95%

CAS: 2227-79-4 Molecular Formula: C7H7NS Molecular Weight (g/mol): 137.20 MDL Number: MFCD00008060 InChI Key: QIOZLISABUUKJY-UHFFFAOYSA-N Synonym: thiobenzamide,benzothioamide,benzamide, thio,benzothiamide,tiobenzamide,phenylthioamide,tiobenzamide italian,unii-8799vm9sxc,benzene-1-carbothioamide,aminophenylmethane-1-thione PubChem CID: 683563 ChEBI: CHEBI:80418 IUPAC Name: benzenecarbothioamide SMILES: NC(=S)C1=CC=CC=C1

PubChem CID 683563
CAS 2227-79-4
Molecular Weight (g/mol) 137.20
ChEBI CHEBI:80418
MDL Number MFCD00008060
SMILES NC(=S)C1=CC=CC=C1
Synonym thiobenzamide,benzothioamide,benzamide, thio,benzothiamide,tiobenzamide,phenylthioamide,tiobenzamide italian,unii-8799vm9sxc,benzene-1-carbothioamide,aminophenylmethane-1-thione
IUPAC Name benzenecarbothioamide
InChI Key QIOZLISABUUKJY-UHFFFAOYSA-N
Molecular Formula C7H7NS
5
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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
6

tert-Butyl 2-amino-2-thioxoethylcarbamate, 90%, Thermo Scientific™

CAS: 89226-13-1 Molecular Formula: C7H14N2O2S Molecular Weight (g/mol): 190.261 MDL Number: MFCD09025922 InChI Key: AGBIUUFZUPNDTM-UHFFFAOYSA-N Synonym: tert-butyl 2-amino-2-thioxoethyl carbamate,tert-butyl 2-amino-2-thioxoethylcarbamate,tert-butyl n-carbamothioylmethyl carbamate,tert-butyl n-2-amino-2-sulfanylideneethyl carbamate,carbamic acid, 2-amino-2-thioxoethyl-, 1,1-dimethylethyl ester,carbamic acid,n-2-amino-2-thioxoethyl-, 1,1-dimethylethyl ester,acmc-20ljf8,n-tert-butoxycarbonylglycinethioamide,tert-butoxycarbonylamino acetothioamide,n-t-butoxycarbonylamino acetothioamide PubChem CID: 5324304 IUPAC Name: tert-butyl N-(2-amino-2-sulfanylideneethyl)carbamate SMILES: CC(C)(C)OC(=O)NCC(=S)N

PubChem CID 5324304
CAS 89226-13-1
Molecular Weight (g/mol) 190.261
MDL Number MFCD09025922
SMILES CC(C)(C)OC(=O)NCC(=S)N
Synonym tert-butyl 2-amino-2-thioxoethyl carbamate,tert-butyl 2-amino-2-thioxoethylcarbamate,tert-butyl n-carbamothioylmethyl carbamate,tert-butyl n-2-amino-2-sulfanylideneethyl carbamate,carbamic acid, 2-amino-2-thioxoethyl-, 1,1-dimethylethyl ester,carbamic acid,n-2-amino-2-thioxoethyl-, 1,1-dimethylethyl ester,acmc-20ljf8,n-tert-butoxycarbonylglycinethioamide,tert-butoxycarbonylamino acetothioamide,n-t-butoxycarbonylamino acetothioamide
IUPAC Name tert-butyl N-(2-amino-2-sulfanylideneethyl)carbamate
InChI Key AGBIUUFZUPNDTM-UHFFFAOYSA-N
Molecular Formula C7H14N2O2S
7

2-Methyl-1H-imidazole-4-carbothioamide, 97%, Thermo Scientific™

CAS: 129486-91-5 Molecular Formula: C5H7N3S Molecular Weight (g/mol): 141.192 MDL Number: MFCD03659724 InChI Key: MNYPQSNAWPZXRV-UHFFFAOYSA-N Synonym: 2-methyl-1h-imidazole-4-carbothioamide,1h-imidazole-5-carbothioamide,2-methyl,1h-imidazole-5-carbothioamide, 2-methyl,acmc-1c27g,amino 2-methylimidazol-4-yl methane-1-thione,2-methyl-3h-imidazole-4-carbothioamide PubChem CID: 2796714 IUPAC Name: 2-methyl-1H-imidazole-5-carbothioamide SMILES: CC1=NC=C(N1)C(=S)N

PubChem CID 2796714
CAS 129486-91-5
Molecular Weight (g/mol) 141.192
MDL Number MFCD03659724
SMILES CC1=NC=C(N1)C(=S)N
Synonym 2-methyl-1h-imidazole-4-carbothioamide,1h-imidazole-5-carbothioamide,2-methyl,1h-imidazole-5-carbothioamide, 2-methyl,acmc-1c27g,amino 2-methylimidazol-4-yl methane-1-thione,2-methyl-3h-imidazole-4-carbothioamide
IUPAC Name 2-methyl-1H-imidazole-5-carbothioamide
InChI Key MNYPQSNAWPZXRV-UHFFFAOYSA-N
Molecular Formula C5H7N3S
8

2-Amino-2-thioxoethyl pivalate, 97%, Thermo Scientific™

CAS: 175204-79-2 Molecular Formula: C7H13NO2S Molecular Weight (g/mol): 175.25 MDL Number: MFCD00204238 InChI Key: COULAOZTCJTHOX-UHFFFAOYSA-N Synonym: 2-amino-2-thioxoethyl pivalate,2-amino-2-thioxoethyl 2,2-dimethylpropanoate,carbamothioylmethyl 2,2-dimethylpropanoate,2-tert-butylcarbonyloxy thioacetamide,propanoicacid, 2,2-dimethyl-, 2-amino-2-thioxoethyl ester,propanoic acid, 2,2-dimethyl-, 2-amino-2-thioxoethyl ester,maybridge1_006303,2-pivaloyloxy-thioacetamide,2-amino-2-thioxoethylpivalate PubChem CID: 2782113 IUPAC Name: (2-amino-2-sulfanylideneethyl) 2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)OCC(N)=S

PubChem CID 2782113
CAS 175204-79-2
Molecular Weight (g/mol) 175.25
MDL Number MFCD00204238
SMILES CC(C)(C)C(=O)OCC(N)=S
Synonym 2-amino-2-thioxoethyl pivalate,2-amino-2-thioxoethyl 2,2-dimethylpropanoate,carbamothioylmethyl 2,2-dimethylpropanoate,2-tert-butylcarbonyloxy thioacetamide,propanoicacid, 2,2-dimethyl-, 2-amino-2-thioxoethyl ester,propanoic acid, 2,2-dimethyl-, 2-amino-2-thioxoethyl ester,maybridge1_006303,2-pivaloyloxy-thioacetamide,2-amino-2-thioxoethylpivalate
IUPAC Name (2-amino-2-sulfanylideneethyl) 2,2-dimethylpropanoate
InChI Key COULAOZTCJTHOX-UHFFFAOYSA-N
Molecular Formula C7H13NO2S
9
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2-Cyanothioacetamide, 98%

CAS: 7357-70-2 Molecular Formula: C3H4N2S Molecular Weight (g/mol): 100.14 MDL Number: MFCD00010025 InChI Key: BHPYMZQTCPRLNR-UHFFFAOYSA-N Synonym: 2-cyanothioacetamide,cyanothioacetamide,ethanethioamide, 2-cyano,cyano thioacetamide,2-cyano-thioacetamide,3-amino-3-thioxopropanenitrile,cyanthioacetamide,cyanoacetothioamide,2-cyanothioactamide,alpha-cyanothioacetamide PubChem CID: 1416277 IUPAC Name: 2-cyanoethanethioamide SMILES: NC(=S)CC#N

PubChem CID 1416277
CAS 7357-70-2
Molecular Weight (g/mol) 100.14
MDL Number MFCD00010025
SMILES NC(=S)CC#N
Synonym 2-cyanothioacetamide,cyanothioacetamide,ethanethioamide, 2-cyano,cyano thioacetamide,2-cyano-thioacetamide,3-amino-3-thioxopropanenitrile,cyanthioacetamide,cyanoacetothioamide,2-cyanothioactamide,alpha-cyanothioacetamide
IUPAC Name 2-cyanoethanethioamide
InChI Key BHPYMZQTCPRLNR-UHFFFAOYSA-N
Molecular Formula C3H4N2S
10

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
11
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Pyrimidine-2-thiocarboxamide, 97%

CAS: 4537-73-9 Molecular Formula: C5H5N3S Molecular Weight (g/mol): 139.176 MDL Number: MFCD12093703 InChI Key: QAUHVPUYFSGVME-UHFFFAOYSA-N Synonym: 2-pyrimidinecarbothioamide,pyrimidine-2-thiocarboxamide,2-pyrimidinecarbothioamide 9ci PubChem CID: 23273397 IUPAC Name: pyrimidine-2-carbothioamide SMILES: C1=CN=C(N=C1)C(=S)N

PubChem CID 23273397
CAS 4537-73-9
Molecular Weight (g/mol) 139.176
MDL Number MFCD12093703
SMILES C1=CN=C(N=C1)C(=S)N
Synonym 2-pyrimidinecarbothioamide,pyrimidine-2-thiocarboxamide,2-pyrimidinecarbothioamide 9ci
IUPAC Name pyrimidine-2-carbothioamide
InChI Key QAUHVPUYFSGVME-UHFFFAOYSA-N
Molecular Formula C5H5N3S
12
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2-Methoxythiobenzamide, 97%

CAS: 42590-97-6 Molecular Formula: C8H9NOS Molecular Weight (g/mol): 167.226 MDL Number: MFCD04973324 InChI Key: YNEHBLLUZJTDOL-UHFFFAOYSA-N PubChem CID: 2759731 IUPAC Name: 2-methoxybenzenecarbothioamide SMILES: COC1=CC=CC=C1C(=S)N

PubChem CID 2759731
CAS 42590-97-6
Molecular Weight (g/mol) 167.226
MDL Number MFCD04973324
SMILES COC1=CC=CC=C1C(=S)N
IUPAC Name 2-methoxybenzenecarbothioamide
InChI Key YNEHBLLUZJTDOL-UHFFFAOYSA-N
Molecular Formula C8H9NOS
13
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Dithiooxamide, 98%

CAS: 79-40-3 Molecular Formula: C2H4N2S2 Molecular Weight (g/mol): 120.188 MDL Number: MFCD00004941 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

PubChem CID 2777982
CAS 79-40-3
Molecular Weight (g/mol) 120.188
MDL Number MFCD00004941
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
14
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Pyridine-2-thiocarboxamide, 97+%

CAS: 5346-38-3 Molecular Formula: C6H6N2S Molecular Weight (g/mol): 138.19 MDL Number: MFCD00087576 InChI Key: HYKQYVSNFPWGKQ-UHFFFAOYSA-N Synonym: thiopicolinamide,2-pyridinecarbothioamide,pyridine-2-thioamide,pyridine-2-carbothioic acid amide,picolinamide, thio,2-pyridinethiocarboxamide,picolinothioamide,2-thiopicolinamide,pyridinecarbothioamide,2-thiocarbamoylpyridine PubChem CID: 1549499 IUPAC Name: pyridine-2-carbothioamide SMILES: NC(=S)C1=CC=CC=N1

PubChem CID 1549499
CAS 5346-38-3
Molecular Weight (g/mol) 138.19
MDL Number MFCD00087576
SMILES NC(=S)C1=CC=CC=N1
Synonym thiopicolinamide,2-pyridinecarbothioamide,pyridine-2-thioamide,pyridine-2-carbothioic acid amide,picolinamide, thio,2-pyridinethiocarboxamide,picolinothioamide,2-thiopicolinamide,pyridinecarbothioamide,2-thiocarbamoylpyridine
IUPAC Name pyridine-2-carbothioamide
InChI Key HYKQYVSNFPWGKQ-UHFFFAOYSA-N
Molecular Formula C6H6N2S
15
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4-Nitrothiobenzamide, 97%

CAS: 26060-30-0 Molecular Formula: C7H6N2O2S Molecular Weight (g/mol): 182.197 MDL Number: MFCD06150000 InChI Key: MDBQPBMIZPCKAJ-UHFFFAOYSA-N Synonym: 4-nitrobenzothioamide,4-nitro-thiobenzamide,4-nitrobenzene-1-carbothioamide,4-nitrothiobenzamide,benzenecarbothioamide,4-nitro,benzenecarbothioamide, 4-nitro,p-nitrothiobenzamide,4-nitro-benzenecarbothioamide,4-nitrobenzene-carbothioamide,amino 4-nitrophenyl methane-1-thione PubChem CID: 3000564 IUPAC Name: 4-nitrobenzenecarbothioamide SMILES: C1=CC(=CC=C1C(=S)N)[N+](=O)[O-]

PubChem CID 3000564
CAS 26060-30-0
Molecular Weight (g/mol) 182.197
MDL Number MFCD06150000
SMILES C1=CC(=CC=C1C(=S)N)[N+](=O)[O-]
Synonym 4-nitrobenzothioamide,4-nitro-thiobenzamide,4-nitrobenzene-1-carbothioamide,4-nitrothiobenzamide,benzenecarbothioamide,4-nitro,benzenecarbothioamide, 4-nitro,p-nitrothiobenzamide,4-nitro-benzenecarbothioamide,4-nitrobenzene-carbothioamide,amino 4-nitrophenyl methane-1-thione
IUPAC Name 4-nitrobenzenecarbothioamide
InChI Key MDBQPBMIZPCKAJ-UHFFFAOYSA-N
Molecular Formula C7H6N2O2S