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

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

Approval Year

Name Type Language
5-(Methylthio)-o-anisic acid
Systematic Name English
2-Methoxy-5-(methylthio)benzoic acid
Systematic Name English
2-Methoxy-5-(methylsulfanyl)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 Sat Dec 16 19:50:54 GMT 2023 , Edited by admin on Sat Dec 16 19:50:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID40210686
Created by admin on Sat Dec 16 19:50:54 GMT 2023 , Edited by admin on Sat Dec 16 19:50:54 GMT 2023
PRIMARY
CAS
61694-97-1
Created by admin on Sat Dec 16 19:50:54 GMT 2023 , Edited by admin on Sat Dec 16 19:50:54 GMT 2023
PRIMARY
FDA UNII
Y8XL8M5FNP
Created by admin on Sat Dec 16 19:50:54 GMT 2023 , Edited by admin on Sat Dec 16 19:50:54 GMT 2023
PRIMARY
PUBCHEM
3017277
Created by admin on Sat Dec 16 19:50:54 GMT 2023 , Edited by admin on Sat Dec 16 19:50:54 GMT 2023
PRIMARY