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Details

Stereochemistry RACEMIC
Molecular Formula C5H10O2S
Molecular Weight 134.197
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-MERCAPTOBUTANOATE

SMILES

COC(=O)CC(C)S

InChI

InChIKey=BHDKXXOGPCSBQI-UHFFFAOYSA-N
InChI=1S/C5H10O2S/c1-4(8)3-5(6)7-2/h4,8H,3H2,1-2H3

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
METHYL 3-MERCAPTOBUTANOATE
FHFI  
Systematic Name English
BUTYRIC ACID, 3-MERCAPTO-, METHYL ESTER
Common Name English
BUTANOIC ACID, 3-MERCAPTO-, METHYL ESTER
Common Name English
METHYL 3-MERCAPTOBUTANOATE [FHFI]
Common Name English
METHYL 3-MERCAPTOBUTYRATE
Systematic Name English
FEMA NO. 4167
Code English
Classification Tree Code System Code
JECFA EVALUATION METHYL 3-MERCAPTOBUTANOATE
Created by admin on Fri Dec 15 20:38:53 GMT 2023 , Edited by admin on Fri Dec 15 20:38:53 GMT 2023
Code System Code Type Description
PUBCHEM
9898836
Created by admin on Fri Dec 15 20:38:53 GMT 2023 , Edited by admin on Fri Dec 15 20:38:53 GMT 2023
PRIMARY
JECFA MONOGRAPH
1662
Created by admin on Fri Dec 15 20:38:53 GMT 2023 , Edited by admin on Fri Dec 15 20:38:53 GMT 2023
PRIMARY
CAS
54051-19-3
Created by admin on Fri Dec 15 20:38:53 GMT 2023 , Edited by admin on Fri Dec 15 20:38:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID90968887
Created by admin on Fri Dec 15 20:38:53 GMT 2023 , Edited by admin on Fri Dec 15 20:38:53 GMT 2023
PRIMARY
FDA UNII
8ID1LZZ5ZR
Created by admin on Fri Dec 15 20:38:53 GMT 2023 , Edited by admin on Fri Dec 15 20:38:53 GMT 2023
PRIMARY