(M-TOLYLTHIO)-ACETIC ACID

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NCATS

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

Structure Search

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

Molecular Formula	C9H10O2S
Molecular Weight	182.239
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 `Tue Apr 01 19:31:08 GMT 2025` Edited by `admin` on `Tue Apr 01 19:31:08 GMT 2025`
Record UNII	ZMK0I6P7H6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-100921

Preferred Name

English

(M-TOLYLTHIO)-ACETIC ACID

Systematic Name

English

ACETIC ACID, ((3-METHYLPHENYL)THIO)-

Systematic Name

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 Tue Apr 01 19:31:08 GMT 2025 , Edited by admin on Tue Apr 01 19:31:08 GMT 2025

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NSC

100921

Created by admin on Tue Apr 01 19:31:08 GMT 2025 , Edited by admin on Tue Apr 01 19:31:08 GMT 2025

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EPA CompTox

DTXSID8063258

Created by admin on Tue Apr 01 19:31:08 GMT 2025 , Edited by admin on Tue Apr 01 19:31:08 GMT 2025

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PUBCHEM

77613

Created by admin on Tue Apr 01 19:31:08 GMT 2025 , Edited by admin on Tue Apr 01 19:31:08 GMT 2025

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CAS

3996-30-3

Created by admin on Tue Apr 01 19:31:08 GMT 2025 , Edited by admin on Tue Apr 01 19:31:08 GMT 2025

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