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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2-Phenylthioacetamide, 97%

CAS: 645-54-5 Molecular Formula: C8H9NS Molecular Weight (g/mol): 151.227 MDL Number: MFCD00022177 InChI Key: CJXBHFANXQMZBF-UHFFFAOYSA-N Synonym: 2-phenylthioacetamide,benzeneethanethioamide,phenylthioacetamide,acetamide, 2-phenylthio,benzeneethanimidothioic acid,phenylacetothioamide,1-amino-2-phenylethane-1-thione,a-phenylthioacetamide,2-phenyl-thioacetamide,alpha-phenylthioacetamide PubChem CID: 731368 IUPAC Name: 2-phenylethanethioamide SMILES: C1=CC=C(C=C1)CC(=S)N

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Specifications

PubChem CID	731368
CAS	645-54-5
Molecular Weight (g/mol)	151.227
MDL Number	MFCD00022177
SMILES	C1=CC=C(C=C1)CC(=S)N
Synonym	2-phenylthioacetamide,benzeneethanethioamide,phenylthioacetamide,acetamide, 2-phenylthio,benzeneethanimidothioic acid,phenylacetothioamide,1-amino-2-phenylethane-1-thione,a-phenylthioacetamide,2-phenyl-thioacetamide,alpha-phenylthioacetamide
IUPAC Name	2-phenylethanethioamide
InChI Key	CJXBHFANXQMZBF-UHFFFAOYSA-N
Molecular Formula	C8H9NS

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

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Specifications

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

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

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Specifications

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

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

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Specifications

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

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

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Specifications

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

2-Aminothiobenzamide, 97%

CAS: 2454-39-9 Molecular Formula: C7H8N2S Molecular Weight (g/mol): 152.215 MDL Number: MFCD00963496 InChI Key: HPZKAJRFABCGFF-UHFFFAOYSA-N Synonym: 2-aminothiobenzamide,2-amino-thiobenzamide,2-aminobenzothioamide,benzenecarbothioamide, 2-amino,thioanthranilamide,o-aminothiobenzamide,2-aminobenzene-1-carbothioamide,amino 2-aminophenyl methane-1-thione,benzamide, o-aminothio,thioanthranilsaureamid PubChem CID: 1550990 IUPAC Name: 2-aminobenzenecarbothioamide SMILES: C1=CC=C(C(=C1)C(=S)N)N

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Specifications

PubChem CID	1550990
CAS	2454-39-9
Molecular Weight (g/mol)	152.215
MDL Number	MFCD00963496
SMILES	C1=CC=C(C(=C1)C(=S)N)N
Synonym	2-aminothiobenzamide,2-amino-thiobenzamide,2-aminobenzothioamide,benzenecarbothioamide, 2-amino,thioanthranilamide,o-aminothiobenzamide,2-aminobenzene-1-carbothioamide,amino 2-aminophenyl methane-1-thione,benzamide, o-aminothio,thioanthranilsaureamid
IUPAC Name	2-aminobenzenecarbothioamide
InChI Key	HPZKAJRFABCGFF-UHFFFAOYSA-N
Molecular Formula	C7H8N2S

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

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

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Specifications

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

2-(3-Chlorophenoxy)ethanethioamide, ≥95%, Thermo Scientific™

CAS: 35370-95-7 Molecular Formula: C8H8ClNOS Molecular Weight (g/mol): 201.668 MDL Number: MFCD00052479 InChI Key: RPAOLVIADVQKNA-UHFFFAOYSA-N Synonym: 2-3-chlorophenoxy ethanethioamide,2-3-chlorophenoxy thioacetamide,1-amino-2-3-chlorophenoxy ethane-1-thione,maybridge1_008529,3-chlorophenoxy thioacetamide,2-3-chlorophenoxy ethanethioamide #,ethanethioamide,2-3-chlorophenoxy PubChem CID: 2743553 IUPAC Name: 2-(3-chlorophenoxy)ethanethioamide SMILES: C1=CC(=CC(=C1)Cl)OCC(=S)N

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Specifications

PubChem CID	2743553
CAS	35370-95-7
Molecular Weight (g/mol)	201.668
MDL Number	MFCD00052479
SMILES	C1=CC(=CC(=C1)Cl)OCC(=S)N
Synonym	2-3-chlorophenoxy ethanethioamide,2-3-chlorophenoxy thioacetamide,1-amino-2-3-chlorophenoxy ethane-1-thione,maybridge1_008529,3-chlorophenoxy thioacetamide,2-3-chlorophenoxy ethanethioamide #,ethanethioamide,2-3-chlorophenoxy
IUPAC Name	2-(3-chlorophenoxy)ethanethioamide
InChI Key	RPAOLVIADVQKNA-UHFFFAOYSA-N
Molecular Formula	C8H8ClNOS

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

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Specifications

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

4-(1,3-Dioxolan-2-yl)benzene-1-carbothioamide, 97%, Thermo Scientific™

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Thioisobutyramide, 95%

CAS: 13515-65-6 Molecular Formula: C4H9NS Molecular Weight (g/mol): 103.183 MDL Number: MFCD07369538 InChI Key: NPCLRBQYESMUPD-UHFFFAOYSA-N Synonym: thioisobutyramide,isobutylthioamide,isobutyrthioamide,2-methylpropaneothioamide,2-methylpropane-thioamide,2-methyl-propanethioamide,acmc-209by0,propanethioamide,2-methyl,ksc519m8d,2-methyl propanethioamide PubChem CID: 10909507 IUPAC Name: 2-methylpropanethioamide SMILES: CC(C)C(=S)N

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Specifications

PubChem CID	10909507
CAS	13515-65-6
Molecular Weight (g/mol)	103.183
MDL Number	MFCD07369538
SMILES	CC(C)C(=S)N
Synonym	thioisobutyramide,isobutylthioamide,isobutyrthioamide,2-methylpropaneothioamide,2-methylpropane-thioamide,2-methyl-propanethioamide,acmc-209by0,propanethioamide,2-methyl,ksc519m8d,2-methyl propanethioamide
IUPAC Name	2-methylpropanethioamide
InChI Key	NPCLRBQYESMUPD-UHFFFAOYSA-N
Molecular Formula	C4H9NS

tert-Butyl N-(3-amino-3-thioxopropyl)carbamate, 97%, Thermo Scientific™

CAS: 77152-97-7 Molecular Formula: C8H16N2O2S Molecular Weight (g/mol): 204.288 MDL Number: MFCD02180883 InChI Key: OBDMXQCRRWGEQM-UHFFFAOYSA-N Synonym: tert-butyl n-3-amino-3-thioxopropyl carbamate,tert-butyl 3-amino-3-thioxopropylcarbamate,tert-butyl n-2-carbamothioylethyl carbamate,tert-butyl 3-amino-3-thioxopropyl carbamate,3-tert-butoxycarbonyl amino propanethioamide,tert-butyl 3-amino-3-thioxoprop-1-yl carbamate,2-thiocarbamoylethyl carbamic acid tert-butyl ester,carbamic acid,n-3-amino-3-thioxopropyl-, 1,1-dimethylethyl ester,tert-butyl 2-thiocarbamoylethylcarbamate,3-tert-butoxycarbonylamino propanethioamide PubChem CID: 2735653 IUPAC Name: tert-butyl N-(3-amino-3-sulfanylidenepropyl)carbamate SMILES: CC(C)(C)OC(=O)NCCC(=S)N

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Specifications

PubChem CID	2735653
CAS	77152-97-7
Molecular Weight (g/mol)	204.288
MDL Number	MFCD02180883
SMILES	CC(C)(C)OC(=O)NCCC(=S)N
Synonym	tert-butyl n-3-amino-3-thioxopropyl carbamate,tert-butyl 3-amino-3-thioxopropylcarbamate,tert-butyl n-2-carbamothioylethyl carbamate,tert-butyl 3-amino-3-thioxopropyl carbamate,3-tert-butoxycarbonyl amino propanethioamide,tert-butyl 3-amino-3-thioxoprop-1-yl carbamate,2-thiocarbamoylethyl carbamic acid tert-butyl ester,carbamic acid,n-3-amino-3-thioxopropyl-, 1,1-dimethylethyl ester,tert-butyl 2-thiocarbamoylethylcarbamate,3-tert-butoxycarbonylamino propanethioamide
IUPAC Name	tert-butyl N-(3-amino-3-sulfanylidenepropyl)carbamate
InChI Key	OBDMXQCRRWGEQM-UHFFFAOYSA-N
Molecular Formula	C8H16N2O2S

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

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Specifications

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

2,2,2-Trimethylthioacetamide, 97%

CAS: 630-22-8 Molecular Formula: C5H11NS Molecular Weight (g/mol): 117.21 MDL Number: MFCD09742834 InChI Key: FJZJUSOFGBXHCV-UHFFFAOYSA-N Synonym: 2,2,2-trimethylthioacetamide,2,2-dimethylthiopropionamide,neopentanethioamide,propanethioamide, 2,2-dimethyl,thiopivalamide,2,2-dimethyl-thiopropionamide,2,2-dimethylthio propionamide,propanethioamide,2,2-dimethyl,2-methyl-2-methylthiopropionamide,propionamide, 2-methyl-2-methylthio PubChem CID: 3031130 IUPAC Name: 2,2-dimethylpropanethioamide SMILES: CC(C)(C)C(=S)N

Pricing and Availability
Specifications

PubChem CID	3031130
CAS	630-22-8
Molecular Weight (g/mol)	117.21
MDL Number	MFCD09742834
SMILES	CC(C)(C)C(=S)N
Synonym	2,2,2-trimethylthioacetamide,2,2-dimethylthiopropionamide,neopentanethioamide,propanethioamide, 2,2-dimethyl,thiopivalamide,2,2-dimethyl-thiopropionamide,2,2-dimethylthio propionamide,propanethioamide,2,2-dimethyl,2-methyl-2-methylthiopropionamide,propionamide, 2-methyl-2-methylthio
IUPAC Name	2,2-dimethylpropanethioamide
InChI Key	FJZJUSOFGBXHCV-UHFFFAOYSA-N
Molecular Formula	C5H11NS

Thiocarbonyl compounds

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