U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C5H7O3S.Na
Molecular Weight 170.162
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 4-(METHYLTHIO)-2-OXOBUTANOATE

SMILES

[Na+].CSCCC(=O)C([O-])=O

InChI

InChIKey=IFSCKRWNXKWTLR-UHFFFAOYSA-M
InChI=1S/C5H8O3S.Na/c1-9-3-2-4(6)5(7)8;/h2-3H2,1H3,(H,7,8);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
SODIUM 4-(METHYLTHIO)-2-OXOBUTANOATE
Systematic Name English
4-METHYLSULFANYL-2-OXOBUTANOIC ACID SODIUM SALT
Common Name English
SODIUM 4-METHYLSULFANYL-2-OXOBUTYRATE
Systematic Name English
BUTANOIC ACID, 4-(METHYLTHIO)-2-OXO-, MONOSODIUM SALT
Common Name English
SODIUM 4-(METHYLTHIO)-2-OXOBUTYRATE
Systematic Name English
4-METHYLTHIO-2-OXOBUTANOIC ACID [FHFI]
Common Name English
SODIUM 4-(METHYL THIO)-2-OXOBUTANOATE
Systematic Name English
FEMA NO. 3881
Code English
.ALPHA.-KETO-.GAMMA.-METHYLTHIOBUTYRIC ACID
Systematic Name English
BUTANOIC ACID, 4-(METHYLTHIO)-2-OXO-, SODIUM SALT (1:1)
Common Name English
Code System Code Type Description
CAS
51828-97-8
Created by admin on Fri Dec 15 15:14:54 UTC 2023 , Edited by admin on Fri Dec 15 15:14:54 UTC 2023
PRIMARY
PUBCHEM
23696623
Created by admin on Fri Dec 15 15:14:54 UTC 2023 , Edited by admin on Fri Dec 15 15:14:54 UTC 2023
PRIMARY
JECFA MONOGRAPH
509
Created by admin on Fri Dec 15 15:14:54 UTC 2023 , Edited by admin on Fri Dec 15 15:14:54 UTC 2023
PRIMARY
FDA UNII
2EZY36W75U
Created by admin on Fri Dec 15 15:14:54 UTC 2023 , Edited by admin on Fri Dec 15 15:14:54 UTC 2023
PRIMARY