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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O3S
Molecular Weight 198.239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(Methylthio)-o-anisic acid

SMILES

COC1=CC=C(SC)C=C1C(O)=O

InChI

InChIKey=QTKWJUXASAOROX-UHFFFAOYSA-N
InChI=1S/C9H10O3S/c1-12-8-4-3-6(13-2)5-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H10O3S
Molecular Weight 198.239
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 17:25:20 GMT 2025
Edited
by admin
on Wed Apr 02 17:25:20 GMT 2025
Record UNII
Y8XL8M5FNP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Methoxy-5-(methylsulfanyl)benzoic acid
Preferred Name English
5-(Methylthio)-o-anisic acid
Systematic Name English
2-Methoxy-5-(methylthio)benzoic acid
Systematic Name English
Benzoic acid, 2-methoxy-5-(methylthio)-
Systematic Name English
2-Methoxy-5-methylsulfanyl-benzoic acid
Systematic Name English
Benzoic acid, 2-methoxy-5-methylmercapto-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
262-910-6
Created by admin on Wed Apr 02 17:25:20 GMT 2025 , Edited by admin on Wed Apr 02 17:25:20 GMT 2025
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EPA CompTox
DTXSID40210686
Created by admin on Wed Apr 02 17:25:20 GMT 2025 , Edited by admin on Wed Apr 02 17:25:20 GMT 2025
PRIMARY
CAS
61694-97-1
Created by admin on Wed Apr 02 17:25:20 GMT 2025 , Edited by admin on Wed Apr 02 17:25:20 GMT 2025
PRIMARY
FDA UNII
Y8XL8M5FNP
Created by admin on Wed Apr 02 17:25:20 GMT 2025 , Edited by admin on Wed Apr 02 17:25:20 GMT 2025
PRIMARY
PUBCHEM
3017277
Created by admin on Wed Apr 02 17:25:20 GMT 2025 , Edited by admin on Wed Apr 02 17:25:20 GMT 2025
PRIMARY