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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H10O3S
Molecular Weight 162.207
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Acetylthio-2-methylpropionic acid, (S)-

SMILES

C[C@H](CSC(C)=O)C(O)=O

InChI

InChIKey=VFVHNRJEYQGRGE-SCSAIBSYSA-N
InChI=1S/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1

HIDE SMILES / InChI

Molecular Formula C6H10O3S
Molecular Weight 162.207
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:10:07 GMT 2025
Edited
by admin
on Wed Apr 02 17:10:07 GMT 2025
Record UNII
M7W9D2CZK8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Acetylthio-2-methylpropionic acid, (S)-
Systematic Name English
(2S)-3-(Acetylsulfanyl)-2-methylpropanoic acid
Preferred Name English
(S)-3-(Acetylthio)-2-methylpropanoic acid
Systematic Name English
Propanoic acid, 3-(acetylthio)-2-methyl-, (2S)
Systematic Name English
D-3-Acetylthio-2-methylpropionic acid
Systematic Name English
(2S)-3-(Acetylthio)-2-methylpropanoic acid
Systematic Name English
(2S)-3-Acetylsulfanyl-2-methylpropanoic acid
Systematic Name English
D-?-Acetylthioisobutyric acid
Systematic Name English
Propanoic acid, 3-(acetylthio)-2-methyl-, (S)
Systematic Name English
D-(-)-3-Acetylthio-2-methylpropionic acid
Systematic Name English
(S)-3-Acetylthio-2-methylpropionic acid
Systematic Name English
(S)-3-Acetylsulfanyl-2-methylpropionic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
2724506
Created by admin on Wed Apr 02 17:10:07 GMT 2025 , Edited by admin on Wed Apr 02 17:10:07 GMT 2025
PRIMARY
FDA UNII
M7W9D2CZK8
Created by admin on Wed Apr 02 17:10:07 GMT 2025 , Edited by admin on Wed Apr 02 17:10:07 GMT 2025
PRIMARY
CAS
76497-39-7
Created by admin on Wed Apr 02 17:10:07 GMT 2025 , Edited by admin on Wed Apr 02 17:10:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID501308058
Created by admin on Wed Apr 02 17:10:07 GMT 2025 , Edited by admin on Wed Apr 02 17:10:07 GMT 2025
PRIMARY