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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O2S
Molecular Weight 168.213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Methylthio)benzoic acid

SMILES

CSC1=CC=CC(=C1)C(O)=O

InChI

InChIKey=PZGADOOBMVLBJE-UHFFFAOYSA-N
InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C8H8O2S
Molecular Weight 168.213
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 Wed Apr 02 12:02:14 GMT 2025
Edited
by admin
on Wed Apr 02 12:02:14 GMT 2025
Record UNII
9F9KVQ2KQE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Methylthio)benzoic acid
Systematic Name English
NSC-2937
Preferred Name English
3-Methanesulfanylbenzoic acid
Systematic Name English
Benzoic acid, m-(methylthio)-
Systematic Name English
Benzoic acid, m-methylmercapto-
Systematic Name English
3-Methylsulfanylbenzoic acid
Systematic Name English
3-Mercaptobenzoic acid S-methyl ether
Systematic Name English
Benzoic acid, 3-(methylthio)-
Systematic Name English
Code System Code Type Description
NSC
2937
Created by admin on Wed Apr 02 12:02:14 GMT 2025 , Edited by admin on Wed Apr 02 12:02:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID60277574
Created by admin on Wed Apr 02 12:02:14 GMT 2025 , Edited by admin on Wed Apr 02 12:02:14 GMT 2025
PRIMARY
FDA UNII
9F9KVQ2KQE
Created by admin on Wed Apr 02 12:02:14 GMT 2025 , Edited by admin on Wed Apr 02 12:02:14 GMT 2025
PRIMARY
PUBCHEM
220329
Created by admin on Wed Apr 02 12:02:14 GMT 2025 , Edited by admin on Wed Apr 02 12:02:14 GMT 2025
PRIMARY
CAS
825-99-0
Created by admin on Wed Apr 02 12:02:14 GMT 2025 , Edited by admin on Wed Apr 02 12:02:14 GMT 2025
PRIMARY