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Details

Stereochemistry ACHIRAL
Molecular Formula C4H8O2S
Molecular Weight 120.17
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-MERCAPTOISOBUTYRIC ACID

SMILES

CC(C)(S)C(O)=O

InChI

InChIKey=JTMBCYAUSCBSEY-UHFFFAOYSA-N
InChI=1S/C4H8O2S/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)

HIDE SMILES / InChI

Molecular Formula C4H8O2S
Molecular Weight 120.17
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:13:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:13:50 GMT 2023
Record UNII
XT2NW8D545
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-MERCAPTOISOBUTYRIC ACID
Systematic Name English
PROPANOIC ACID, 2-MERCAPTO-2-METHYL-
Systematic Name English
.ALPHA.-MERCAPTOISOBUTYRIC ACID
Systematic Name English
Code System Code Type Description
CAS
4695-31-2
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
PRIMARY
FDA UNII
XT2NW8D545
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
225-159-5
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
PRIMARY
PUBCHEM
78421
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID6063561
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
PRIMARY