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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 – 15 of 67 results
1

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
2

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
3

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
4

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
5

Spironolactone, USP, 97-103%, Spectrum™ Chemical
SDP

CAS: 52-01-7 Molecular Formula: C24H32O4S Molecular Weight (g/mol): 416.58 InChI Key: LXMSZDCAJNLERA-ZHYRCANASA-N IUPAC Name: (1R,3aS,3bR,4R,9aR,9bS,11aS)-4-(acetylsulfanyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione SMILES: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12

CAS 52-01-7
Molecular Weight (g/mol) 416.58
SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
IUPAC Name (1R,3aS,3bR,4R,9aR,9bS,11aS)-4-(acetylsulfanyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione
InChI Key LXMSZDCAJNLERA-ZHYRCANASA-N
Molecular Formula C24H32O4S
6

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
7

Spironolactone, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

8

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
9

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
10

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
11

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
12

Thioacetic Acid 95.0+%, TCI America™
SDP

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
13

Spironolactone 98.0+%, TCI America™
SDP

CAS: 52-01-7 Molecular Formula: C24H32O4S Molecular Weight (g/mol): 416.576 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) 416.576
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
14

S-Ethyl Trifluorothioacetate 98.0+%, TCI America™
SDP

CAS: 383-64-2 Molecular Formula: C4H5F3OS Molecular Weight (g/mol): 158.138 MDL Number: MFCD00000421 InChI Key: VGGUKFAVHPGNBF-UHFFFAOYSA-N Synonym: s-ethyl trifluorothioacetate,ethanethioic acid, trifluoro-, s-ethyl ester,ethyl trifluorothiolacetate,s-ethyl trifluoroethanethioate,trifluoroacetonylmercaptoethanol,acetic acid, trifluorothio-, s-ethyl ester,s-ethylthiotrifluoroacetate,trifluorothioacetic acid s-ethyl ester,ethanethioic acid, 2,2,2-trifluoro-, s-ethyl ester,1-ethylsulfanyl-2,2,2-trifluoroethanone PubChem CID: 67844 IUPAC Name: S-ethyl 2,2,2-trifluoroethanethioate SMILES: CCSC(=O)C(F)(F)F

PubChem CID 67844
CAS 383-64-2
Molecular Weight (g/mol) 158.138
MDL Number MFCD00000421
SMILES CCSC(=O)C(F)(F)F
Synonym s-ethyl trifluorothioacetate,ethanethioic acid, trifluoro-, s-ethyl ester,ethyl trifluorothiolacetate,s-ethyl trifluoroethanethioate,trifluoroacetonylmercaptoethanol,acetic acid, trifluorothio-, s-ethyl ester,s-ethylthiotrifluoroacetate,trifluorothioacetic acid s-ethyl ester,ethanethioic acid, 2,2,2-trifluoro-, s-ethyl ester,1-ethylsulfanyl-2,2,2-trifluoroethanone
IUPAC Name S-ethyl 2,2,2-trifluoroethanethioate
InChI Key VGGUKFAVHPGNBF-UHFFFAOYSA-N
Molecular Formula C4H5F3OS
15

S-Ethyl Thiopropionate 98.0+%, TCI America™
SDP

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