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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O2S
Molecular Weight 182.24
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (M-TOLYLTHIO)-ACETIC ACID

SMILES

CC1=CC=CC(SCC(O)=O)=C1

InChI

InChIKey=SIBHZMYQOKCHQY-UHFFFAOYSA-N
InChI=1S/C9H10O2S/c1-7-3-2-4-8(5-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

HIDE SMILES / InChI

Approval Year

Name Type Language
(M-TOLYLTHIO)-ACETIC ACID
Systematic Name English
ACETIC ACID, ((3-METHYLPHENYL)THIO)-
Systematic Name English
NSC-100921
Code English
((3-METHYLPHENYL)THIO)ACETIC ACID
Systematic Name English
ACETIC ACID, 2-((3-METHYLPHENYL)THIO)-
Systematic Name English
2-((3-METHYLPHENYL)THIO)ACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
ZMK0I6P7H6
Created by admin on Sat Dec 16 12:37:16 GMT 2023 , Edited by admin on Sat Dec 16 12:37:16 GMT 2023
PRIMARY
NSC
100921
Created by admin on Sat Dec 16 12:37:16 GMT 2023 , Edited by admin on Sat Dec 16 12:37:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID8063258
Created by admin on Sat Dec 16 12:37:16 GMT 2023 , Edited by admin on Sat Dec 16 12:37:16 GMT 2023
PRIMARY
PUBCHEM
77613
Created by admin on Sat Dec 16 12:37:16 GMT 2023 , Edited by admin on Sat Dec 16 12:37:16 GMT 2023
PRIMARY
CAS
3996-30-3
Created by admin on Sat Dec 16 12:37:16 GMT 2023 , Edited by admin on Sat Dec 16 12:37:16 GMT 2023
PRIMARY