4-(METHYLTHIO)BENZOIC ACID

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NCATS

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 4-(METHYLTHIO)BENZOIC ACID

Structure Search

SMILES

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

InChI

InChIKey=KWHCPERWLHBLOT-UHFFFAOYSA-N

InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)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 `Tue Apr 01 19:20:11 GMT 2025` Edited by `admin` on `Tue Apr 01 19:20:11 GMT 2025`
Record UNII	Q4SWG87DXN
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-400301

Preferred Name

English

4-(METHYLTHIO)BENZOIC ACID

Systematic Name

English

Code System Code Type Description

NSC

400301

Created by admin on Tue Apr 01 19:20:11 GMT 2025 , Edited by admin on Tue Apr 01 19:20:11 GMT 2025

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ECHA (EC/EINECS)

236-171-5

Created by admin on Tue Apr 01 19:20:11 GMT 2025 , Edited by admin on Tue Apr 01 19:20:11 GMT 2025

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PUBCHEM

83230

Created by admin on Tue Apr 01 19:20:11 GMT 2025 , Edited by admin on Tue Apr 01 19:20:11 GMT 2025

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FDA UNII

Q4SWG87DXN

Created by admin on Tue Apr 01 19:20:11 GMT 2025 , Edited by admin on Tue Apr 01 19:20:11 GMT 2025

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CAS

13205-48-6

Created by admin on Tue Apr 01 19:20:11 GMT 2025 , Edited by admin on Tue Apr 01 19:20:11 GMT 2025

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EPA CompTox

DTXSID80157324

Created by admin on Tue Apr 01 19:20:11 GMT 2025 , Edited by admin on Tue Apr 01 19:20:11 GMT 2025

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