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Details

Stereochemistry RACEMIC
Molecular Formula C6H12O2S
Molecular Weight 148.223
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 3-MERCAPTOBUTYRATE

SMILES

CCOC(=O)CC(C)S

InChI

InChIKey=FPBCNQQYLDBWMH-UHFFFAOYSA-N
InChI=1S/C6H12O2S/c1-3-8-6(7)4-5(2)9/h5,9H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H12O2S
Molecular Weight 148.223
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:51:17 GMT 2023
Edited
by admin
on Fri Dec 15 19:51:17 GMT 2023
Record UNII
Y86NFY8S7J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 3-MERCAPTOBUTYRATE
Systematic Name English
BUTANOIC ACID, 3-MERCAPTO-, ETHYL ESTER, (±)-
Common Name English
BUTANOIC ACID, 3-MERCAPTO-, ETHYL ESTER
Common Name English
(±)-ETHYL 3-MERCAPTOBUTYRATE [FHFI]
Common Name English
ETHYL 3-MERCAPTOBUTANOATE
Systematic Name English
FEMA NO. 3977
Code English
ETHYL 3-MERCAPTOBUTYRATE, (±)-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION (+/-)-ETHYL 3-MERCAPTOBUTYRATE
Created by admin on Fri Dec 15 19:51:17 GMT 2023 , Edited by admin on Fri Dec 15 19:51:17 GMT 2023
Code System Code Type Description
FDA UNII
Y86NFY8S7J
Created by admin on Fri Dec 15 19:51:17 GMT 2023 , Edited by admin on Fri Dec 15 19:51:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID80935467
Created by admin on Fri Dec 15 19:51:17 GMT 2023 , Edited by admin on Fri Dec 15 19:51:17 GMT 2023
PRIMARY
CAS
156472-94-5
Created by admin on Fri Dec 15 19:51:17 GMT 2023 , Edited by admin on Fri Dec 15 19:51:17 GMT 2023
PRIMARY
JECFA MONOGRAPH
1303
Created by admin on Fri Dec 15 19:51:17 GMT 2023 , Edited by admin on Fri Dec 15 19:51:17 GMT 2023
PRIMARY
PUBCHEM
9833996
Created by admin on Fri Dec 15 19:51:17 GMT 2023 , Edited by admin on Fri Dec 15 19:51:17 GMT 2023
PRIMARY