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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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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
2

Spironolactone 98.0+%, TCI America™

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
3

S-Propyl Thioacetate 98.0+%, TCI America™

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: 1-(propylsulfanyl)ethan-1-one 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 1-(propylsulfanyl)ethan-1-one
InChI Key SBWFWBJCYMBZEY-UHFFFAOYSA-N
Molecular Formula C5H10OS
4

S-(2-Methyl-3-furyl) Thioacetate 96.0+%, TCI America™

CAS: 55764-25-5 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD01632595 InChI Key: PQFIBPDAGFGLBY-UHFFFAOYSA-N Synonym: 2-methylfuran-3-thiol acetate,3-acetylthio-2-methylfuran,ethanethioic acid, s-2-methyl-3-furanyl ester,s-2-methyl-3-furyl thioacetate,s-2-methyl-3-furyl ethanethioate,2-methyl-3-furanthiol, acetate,unii-7277jee7af,s-2-methylfuran-3-yl ethanethioate,thioacetic acid s-2-methyl-3-furyl ester,1-2-methylfuran-3-yl sulfanyl ethanone PubChem CID: 108765 IUPAC Name: 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one SMILES: CC(=O)SC1=C(C)OC=C1

PubChem CID 108765
CAS 55764-25-5
Molecular Weight (g/mol) 156.20
MDL Number MFCD01632595
SMILES CC(=O)SC1=C(C)OC=C1
Synonym 2-methylfuran-3-thiol acetate,3-acetylthio-2-methylfuran,ethanethioic acid, s-2-methyl-3-furanyl ester,s-2-methyl-3-furyl thioacetate,s-2-methyl-3-furyl ethanethioate,2-methyl-3-furanthiol, acetate,unii-7277jee7af,s-2-methylfuran-3-yl ethanethioate,thioacetic acid s-2-methyl-3-furyl ester,1-2-methylfuran-3-yl sulfanyl ethanone
IUPAC Name 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one
InChI Key PQFIBPDAGFGLBY-UHFFFAOYSA-N
Molecular Formula C7H8O2S
5

S-Ethyl Thiopropionate 98.0+%, TCI America™

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
6

S-(2-Benzothiazolyl) (Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)thioacetate 97.0+%, TCI America™

CAS: 80756-85-0 Molecular Formula: C13H10N4O2S3 Molecular Weight (g/mol): 350.43 MDL Number: MFCD00129148,MFCD00071547 InChI Key: COFDRZLHVALCDU-YVLHZVERSA-N PubChem CID: 5702580 IUPAC Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-1-(1,3-benzothiazol-2-ylsulfanyl)-2-(methoxyimino)ethan-1-one SMILES: CO\N=C(/C(=O)SC1=NC2=CC=CC=C2S1)C1=CSC(N)=N1

PubChem CID 5702580
CAS 80756-85-0
Molecular Weight (g/mol) 350.43
MDL Number MFCD00129148,MFCD00071547
SMILES CO\N=C(/C(=O)SC1=NC2=CC=CC=C2S1)C1=CSC(N)=N1
IUPAC Name (2Z)-2-(2-amino-1,3-thiazol-4-yl)-1-(1,3-benzothiazol-2-ylsulfanyl)-2-(methoxyimino)ethan-1-one
InChI Key COFDRZLHVALCDU-YVLHZVERSA-N
Molecular Formula C13H10N4O2S3
7
Promotions Available

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
8

S-Ethyl Trifluorothioacetate 98.0+%, TCI America™

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
9
Promotions Available

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

Sigma Aldrich Fine Chemicals Biosciences Spironolactone | 52-01-7 | MFCD00082250 | 1 g

Spironolactone | Purity: 97.0-103.0% | Mol Wt: 416.57 | 52-01-7 | MFCD00082250 | 1 g

ENCOMPASS
11

STA PHARMACEUTICAL US LLC Thio(Ac) C6 amidite | 1 g | CAS 176640-51-0 | InChIKey YYZTVJUOQPJPLL-UHFFFAOYSA-N

Thio(Ac) C6 amidite is a Amidite reagent (Subcategory: Thiol Modifiers) sold by WuXi TIDES. Offered in 1 g. Store at -20 °C. Ships on dry ice. SDS available for reference.

Specifications
- CAS: 176640-51-0
- MDL: No data
- InChIKey: YYZTVJUOQPJPLL-UHFFFAOYSA-N
- Molecular Weight: 376.495761998
- Molecular Formula: C17H33N2O3PS
- Purity: ≥95%
- Container Type: 60 mL Glass (20-400)
- Pack Size: 1 g
- Net Weight: 1 g
- Gross Weight: 63 g
- Commodity Code: 29309095
- Country Of Origin: China
- IUPAC: S-(6-(((2-cyanoethoxy)(diisopropylamino)phosphaneyl)oxy)hexyl) ethanethioate
- SMILES: CC(N(P(OCCC#N)OCCCCCCSC(C)=O)C(C)C)C

ENCOMPASS
12

STA PHARMACEUTICAL US LLC Thio(Ac) C6 amidite | 1 g | CAS 176640-51-0 | InChIKey YYZTVJUOQPJPLL-UHFFFAOYSA-N

Thio(Ac) C6 amidite is a Amidite reagent (Subcategory: Thiol Modifiers) sold by WuXi TIDES. Offered in 1 g. Store at -20 °C. Ships on dry ice. SDS available for reference.

Specifications
- CAS: 176640-51-0
- MDL: No data
- InChIKey: YYZTVJUOQPJPLL-UHFFFAOYSA-N
- Molecular Weight: 376.495761998
- Molecular Formula: C17H33N2O3PS
- Purity: ≥95%
- Container Type: 60 mL Glass (Septum)
- Pack Size: 1 g
- Net Weight: 1 g
- Gross Weight: 38.3 g
- Commodity Code: 29309095
- Country Of Origin: China
- IUPAC: S-(6-(((2-cyanoethoxy)(diisopropylamino)phosphaneyl)oxy)hexyl) ethanethioate
- SMILES: CC(N(P(OCCC#N)OCCCCCCSC(C)=O)C(C)C)C

ENCOMPASS
13

STA PHARMACEUTICAL US LLC Thio(Ac) C6 amidite | 1 g | CAS 176640-51-0 | InChIKey YYZTVJUOQPJPLL-UHFFFAOYSA-N

Thio(Ac) C6 amidite is a Amidite reagent (Subcategory: Thiol Modifiers) sold by WuXi TIDES. Offered in 1 g. Store at -20 °C. Ships on dry ice. SDS available for reference.

Specifications
- CAS: 176640-51-0
- MDL: No data
- InChIKey: YYZTVJUOQPJPLL-UHFFFAOYSA-N
- Molecular Weight: 376.495761998
- Molecular Formula: C17H33N2O3PS
- Purity: ≥95%
- Container Type: 30 mL Glass (20-400)
- Pack Size: 1 g
- Net Weight: 1 g
- Gross Weight: 47.3 g
- Commodity Code: 29309095
- Country Of Origin: China
- IUPAC: S-(6-(((2-cyanoethoxy)(diisopropylamino)phosphaneyl)oxy)hexyl) ethanethioate
- SMILES: CC(N(P(OCCC#N)OCCCCCCSC(C)=O)C(C)C)C

ENCOMPASS
14

STA PHARMACEUTICAL US LLC Thio(Ac) C6 amidite | 1 g | CAS 176640-51-0 | InChIKey YYZTVJUOQPJPLL-UHFFFAOYSA-N

Thio(Ac) C6 amidite is a Amidite reagent (Subcategory: Thiol Modifiers) sold by WuXi TIDES. Offered in 1 g. Store at -20 °C. Ships on dry ice. SDS available for reference.

Specifications
- CAS: 176640-51-0
- MDL: No data
- InChIKey: YYZTVJUOQPJPLL-UHFFFAOYSA-N
- Molecular Weight: 376.495761998
- Molecular Formula: C17H33N2O3PS
- Purity: ≥95%
- Container Type: 15 mL HDPE
- Pack Size: 1 g
- Net Weight: 1 g
- Gross Weight: 7.8 g
- Commodity Code: 29309095
- Country Of Origin: China
- IUPAC: S-(6-(((2-cyanoethoxy)(diisopropylamino)phosphaneyl)oxy)hexyl) ethanethioate
- SMILES: CC(N(P(OCCC#N)OCCCCCCSC(C)=O)C(C)C)C

ENCOMPASS
15

STA PHARMACEUTICAL US LLC Thio(Ac) C6 amidite | 1 g | CAS 176640-51-0 | InChIKey YYZTVJUOQPJPLL-UHFFFAOYSA-N

Thio(Ac) C6 amidite is a Amidite reagent (Subcategory: Thiol Modifiers) sold by WuXi TIDES. Offered in 1 g. Store at -20 °C. Ships on dry ice. SDS available for reference.

Specifications
- CAS: 176640-51-0
- MDL: No data
- InChIKey: YYZTVJUOQPJPLL-UHFFFAOYSA-N
- Molecular Weight: 376.495761998
- Molecular Formula: C17H33N2O3PS
- Purity: ≥95%
- Container Type: 30 mL Glass (28-400)
- Pack Size: 1 g
- Net Weight: 1 g
- Gross Weight: 50.1 g
- Commodity Code: 29309095
- Country Of Origin: China
- IUPAC: S-(6-(((2-cyanoethoxy)(diisopropylamino)phosphaneyl)oxy)hexyl) ethanethioate
- SMILES: CC(N(P(OCCC#N)OCCCCCCSC(C)=O)C(C)C)C

ENCOMPASS