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Carbothioic Derivatives

Organosulfur compounds that are derived from carbothioic acid; carbothioic acid is a carboxylic acid with one of the oxygen atoms replaced by a sulfur atom. Two tautomers are possible: a thione form (RC(S)OH), and a thiol form (RC(O)SH).
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Keyword Search:
1 – 12 of 12 results
1

Thioacetic acid, 97%

CAS: 507-09-5 Molecular Formula: C2H4OS Molecular Weight (g/mol): 76.11 MDL Number: MFCD00004853 InChI Key: DUYAAUVXQSMXQP-UHFFFAOYSA-N Synonym: thioacetic acid,ethanethioic acid,thiacetic acid,thioacetic s-acid,acetyl mercaptan,ethanethiolic acid,thiolacetic acid,thionoacetic acid,methanecarbothiolic acid,ch3cosh PubChem CID: 10484 ChEBI: CHEBI:16555 IUPAC Name: ethanethioic S-acid SMILES: CC(S)=O

PubChem CID 10484
CAS 507-09-5
Molecular Weight (g/mol) 76.11
ChEBI CHEBI:16555
MDL Number MFCD00004853
SMILES CC(S)=O
Synonym thioacetic acid,ethanethioic acid,thiacetic acid,thioacetic s-acid,acetyl mercaptan,ethanethiolic acid,thiolacetic acid,thionoacetic acid,methanecarbothiolic acid,ch3cosh
IUPAC Name ethanethioic S-acid
InChI Key DUYAAUVXQSMXQP-UHFFFAOYSA-N
Molecular Formula C2H4OS
2

S-Methyl thioacetate, 98+%

CAS: 1534-08-3 Molecular Formula: C3H6OS Molecular Weight (g/mol): 90.14 MDL Number: MFCD00014989 InChI Key: OATSQCXMYKYFQO-UHFFFAOYSA-N Synonym: s-methyl thioacetate,methylthioacetate,ethanethioic acid, s-methyl ester,methanethiol acetate,thioacetic acid s-methyl ester,methyl thiolacetate,methyl ethanethioate,unii-pf2d4mwx79,ch3c o sch3,acetic acid, thio-, s-methyl ester PubChem CID: 73750 ChEBI: CHEBI:51280 IUPAC Name: S-methyl ethanethioate SMILES: CC(=O)SC

PubChem CID 73750
CAS 1534-08-3
Molecular Weight (g/mol) 90.14
ChEBI CHEBI:51280
MDL Number MFCD00014989
SMILES CC(=O)SC
Synonym s-methyl thioacetate,methylthioacetate,ethanethioic acid, s-methyl ester,methanethiol acetate,thioacetic acid s-methyl ester,methyl thiolacetate,methyl ethanethioate,unii-pf2d4mwx79,ch3c o sch3,acetic acid, thio-, s-methyl ester
IUPAC Name S-methyl ethanethioate
InChI Key OATSQCXMYKYFQO-UHFFFAOYSA-N
Molecular Formula C3H6OS
3

Thermo Scientific Chemicals DL-Homocysteinethiolactone hydrochloride, 99%

CAS: 6038-19-3 MDL Number: MFCD00012724 InChI Key: ZSEGSUBKDDEALH-UHFFFAOYSA-N Synonym: dl-homocysteine thiolactone hydrochloride,3-aminodihydrothiophen-2 3h-one hydrochloride,3-aminothiolan-2-one hydrochloride,hctl hydrochloride,dl-homocysteinethiolactone hydrochloride,d,l-homocysteine thiolactone hydrochloride,d,l-homocysteinthiolakton chlorid german,+--dihydro-3-amino-2 3h-thiophenone hydrochloride,2 3h-thiophenone, dihydro-3-amino-, hydrochloride, +-,l-2-amino-4-mercaptobutyric acid 1,4-thiolactone hydrochloride PubChem CID: 110753 IUPAC Name: 3-aminothiolan-2-one;hydrochloride SMILES: C1CSC(=O)C1N.Cl

PubChem CID 110753
CAS 6038-19-3
MDL Number MFCD00012724
SMILES C1CSC(=O)C1N.Cl
Synonym dl-homocysteine thiolactone hydrochloride,3-aminodihydrothiophen-2 3h-one hydrochloride,3-aminothiolan-2-one hydrochloride,hctl hydrochloride,dl-homocysteinethiolactone hydrochloride,d,l-homocysteine thiolactone hydrochloride,d,l-homocysteinthiolakton chlorid german,+--dihydro-3-amino-2 3h-thiophenone hydrochloride,2 3h-thiophenone, dihydro-3-amino-, hydrochloride, +-,l-2-amino-4-mercaptobutyric acid 1,4-thiolactone hydrochloride
IUPAC Name 3-aminothiolan-2-one;hydrochloride
InChI Key ZSEGSUBKDDEALH-UHFFFAOYSA-N
4

S-Ethyl thioacetate, 98+%

CAS: 625-60-5 Molecular Formula: C4H8OS Molecular Weight (g/mol): 104.167 MDL Number: MFCD00015178 InChI Key: APTGPWJUOYMUCE-UHFFFAOYSA-N Synonym: s-ethyl thioacetate,ethanethioic acid, ethyl ester,ethanethioic acid, s-ethyl ester,ethyl thiolacetate,ethyl ethanethioate,ethanethioic acid s-ethyl ester,s-ethyl thiolacetate,acetic acid, thio-, ethyl ester,thioethyl compound,acetic acid, thio-, s-ethyl ester PubChem CID: 61171 IUPAC Name: S-ethyl ethanethioate SMILES: CCSC(=O)C

PubChem CID 61171
CAS 625-60-5
Molecular Weight (g/mol) 104.167
MDL Number MFCD00015178
SMILES CCSC(=O)C
Synonym s-ethyl thioacetate,ethanethioic acid, ethyl ester,ethanethioic acid, s-ethyl ester,ethyl thiolacetate,ethyl ethanethioate,ethanethioic acid s-ethyl ester,s-ethyl thiolacetate,acetic acid, thio-, ethyl ester,thioethyl compound,acetic acid, thio-, s-ethyl ester
IUPAC Name S-ethyl ethanethioate
InChI Key APTGPWJUOYMUCE-UHFFFAOYSA-N
Molecular Formula C4H8OS
5

DL-Homocysteine thiolactone hydrochloride, 99%

CAS: 6038-19-3 Molecular Formula: C4H8ClNOS Molecular Weight (g/mol): 153.624 MDL Number: MFCD00012724 InChI Key: ZSEGSUBKDDEALH-UHFFFAOYSA-N Synonym: dl-homocysteine thiolactone hydrochloride,3-aminodihydrothiophen-2 3h-one hydrochloride,3-aminothiolan-2-one hydrochloride,hctl hydrochloride,dl-homocysteinethiolactone hydrochloride,d,l-homocysteine thiolactone hydrochloride,d,l-homocysteinthiolakton chlorid german,+--dihydro-3-amino-2 3h-thiophenone hydrochloride,2 3h-thiophenone, dihydro-3-amino-, hydrochloride, +-,l-2-amino-4-mercaptobutyric acid 1,4-thiolactone hydrochloride PubChem CID: 110753 IUPAC Name: 3-aminothiolan-2-one;hydrochloride SMILES: C1CSC(=O)C1N.Cl

PubChem CID 110753
CAS 6038-19-3
Molecular Weight (g/mol) 153.624
MDL Number MFCD00012724
SMILES C1CSC(=O)C1N.Cl
Synonym dl-homocysteine thiolactone hydrochloride,3-aminodihydrothiophen-2 3h-one hydrochloride,3-aminothiolan-2-one hydrochloride,hctl hydrochloride,dl-homocysteinethiolactone hydrochloride,d,l-homocysteine thiolactone hydrochloride,d,l-homocysteinthiolakton chlorid german,+--dihydro-3-amino-2 3h-thiophenone hydrochloride,2 3h-thiophenone, dihydro-3-amino-, hydrochloride, +-,l-2-amino-4-mercaptobutyric acid 1,4-thiolactone hydrochloride
IUPAC Name 3-aminothiolan-2-one;hydrochloride
InChI Key ZSEGSUBKDDEALH-UHFFFAOYSA-N
Molecular Formula C4H8ClNOS
6

Potassium thioacetate, 98%

CAS: 10387-40-3 Molecular Formula: C2H4KOS Molecular Weight (g/mol): 115.211 MDL Number: MFCD00083065 InChI Key: SDJHDRMYZQFJJO-UHFFFAOYSA-N Synonym: potassium thioacetate,ethanethioic s-acid; potassium,schiff reagent potassium PubChem CID: 24201352 IUPAC Name: ethanethioic S-acid;potassium SMILES: CC(=O)S.[K]

PubChem CID 24201352
CAS 10387-40-3
Molecular Weight (g/mol) 115.211
MDL Number MFCD00083065
SMILES CC(=O)S.[K]
Synonym potassium thioacetate,ethanethioic s-acid; potassium,schiff reagent potassium
IUPAC Name ethanethioic S-acid;potassium
InChI Key SDJHDRMYZQFJJO-UHFFFAOYSA-N
Molecular Formula C2H4KOS
7

Thermo Scientific Chemicals Spironolactone, 99%

CAS: 52-01-7 Molecular Formula: C24H32O4S Molecular Weight (g/mol): 416.57 MDL Number: MFCD00082250 InChI Key: LXMSZDCAJNLERA-ZHYRCANASA-N Synonym: spironolactone,aldactone,spirolactone,verospiron,euteberol,spiroctan,spirolang,verospirone,aldactone a,spironocompren PubChem CID: 5833 ChEBI: CHEBI:9241 IUPAC Name: S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate SMILES: CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C

PubChem CID 5833
CAS 52-01-7
Molecular Weight (g/mol) 416.57
ChEBI CHEBI:9241
MDL Number MFCD00082250
SMILES CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C
Synonym spironolactone,aldactone,spirolactone,verospiron,euteberol,spiroctan,spirolang,verospirone,aldactone a,spironocompren
IUPAC Name S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate
InChI Key LXMSZDCAJNLERA-ZHYRCANASA-N
Molecular Formula C24H32O4S
8

Thioacetic acid, 98%

CAS: 507-09-5 Molecular Formula: C2H4OS Molecular Weight (g/mol): 76.11 MDL Number: MFCD00004853 InChI Key: DUYAAUVXQSMXQP-UHFFFAOYSA-N Synonym: thioacetic acid,ethanethioic acid,thiacetic acid,thioacetic s-acid,acetyl mercaptan,ethanethiolic acid,thiolacetic acid,thionoacetic acid,methanecarbothiolic acid,ch3cosh PubChem CID: 10484 ChEBI: CHEBI:16555 IUPAC Name: ethanethioic S-acid SMILES: CC(S)=O

PubChem CID 10484
CAS 507-09-5
Molecular Weight (g/mol) 76.11
ChEBI CHEBI:16555
MDL Number MFCD00004853
SMILES CC(S)=O
Synonym thioacetic acid,ethanethioic acid,thiacetic acid,thioacetic s-acid,acetyl mercaptan,ethanethiolic acid,thiolacetic acid,thionoacetic acid,methanecarbothiolic acid,ch3cosh
IUPAC Name ethanethioic S-acid
InChI Key DUYAAUVXQSMXQP-UHFFFAOYSA-N
Molecular Formula C2H4OS
9

Acetoacetyl coenzyme A sodium salt, >90%, MP Biomedicals™

CAS: 102029-52-7 Molecular Formula: C25H40N7NaO18P3S Molecular Weight (g/mol): 874.597 InChI Key: RSOOKMDOLPTBRH-UHFFFAOYSA-N PubChem CID: 133112705 IUPAC Name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxobutanethioate;sodium SMILES: CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O.[Na]

PubChem CID 133112705
CAS 102029-52-7
Molecular Weight (g/mol) 874.597
SMILES CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O.[Na]
IUPAC Name S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxobutanethioate;sodium
InChI Key RSOOKMDOLPTBRH-UHFFFAOYSA-N
Molecular Formula C25H40N7NaO18P3S
10

Thiopalmitic Acid (~90%), TRC

CAS: 7530-93-0 Molecular Formula: C16H32OS Molecular Weight (g/mol): 272.49 Synonym: Hexadecanethioic Acid IUPAC Name: hexadecanethioic O-acid SMILES: CCCCCCCCCCCCCCCC(=S)O

CAS 7530-93-0
Molecular Weight (g/mol) 272.49
SMILES CCCCCCCCCCCCCCCC(=S)O
Synonym Hexadecanethioic Acid
IUPAC Name hexadecanethioic O-acid
Molecular Formula C16H32OS
11

S-n-Propyl thioacetate, 98+%, Thermo Scientific™

CAS: 2307-10-0 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.19 MDL Number: MFCD00039937 InChI Key: SBWFWBJCYMBZEY-UHFFFAOYSA-N Synonym: s-propyl thioacetate,propyl thioacetate,ethanethioic acid, s-propyl ester,propyl thiolacetate,s-n-propyl thioacetate,acetic acid, thio-, s-propyl ester,unii-y7284nz6ep,1-propylsulfanyl ethanone,n-propyl thio acetate,fema no. 3385 PubChem CID: 61295 IUPAC Name: S-propyl ethanethioate SMILES: CCCSC(C)=O

PubChem CID 61295
CAS 2307-10-0
Molecular Weight (g/mol) 118.19
MDL Number MFCD00039937
SMILES CCCSC(C)=O
Synonym s-propyl thioacetate,propyl thioacetate,ethanethioic acid, s-propyl ester,propyl thiolacetate,s-n-propyl thioacetate,acetic acid, thio-, s-propyl ester,unii-y7284nz6ep,1-propylsulfanyl ethanone,n-propyl thio acetate,fema no. 3385
IUPAC Name S-propyl ethanethioate
InChI Key SBWFWBJCYMBZEY-UHFFFAOYSA-N
Molecular Formula C5H10OS
12

S-Ethyl thiopropionate, 97%, Thermo Scientific™

CAS: 2432-42-0 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.194 MDL Number: MFCD00027016 InChI Key: HNEVHBHRLCAKKQ-UHFFFAOYSA-N Synonym: s-ethyl thiopropionate,ethyl thiopropionate,propanethioic acid, s-ethyl ester,thiopropionic acid s-ethyl ester,1-ethylsulfanyl propan-1-one,ethanethiol propionate,acmc-1ceeh,propanethioicacid,s-ethylester,thiopropionic acid, s-ethyl ester,propanethioic acid,s-ethyl ester PubChem CID: 75513 IUPAC Name: S-ethyl propanethioate SMILES: CCC(=O)SCC

PubChem CID 75513
CAS 2432-42-0
Molecular Weight (g/mol) 118.194
MDL Number MFCD00027016
SMILES CCC(=O)SCC
Synonym s-ethyl thiopropionate,ethyl thiopropionate,propanethioic acid, s-ethyl ester,thiopropionic acid s-ethyl ester,1-ethylsulfanyl propan-1-one,ethanethiol propionate,acmc-1ceeh,propanethioicacid,s-ethylester,thiopropionic acid, s-ethyl ester,propanethioic acid,s-ethyl ester
IUPAC Name S-ethyl propanethioate
InChI Key HNEVHBHRLCAKKQ-UHFFFAOYSA-N
Molecular Formula C5H10OS