4-(Methylthio)-o-anisic acid

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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 4-(Methylthio)-o-anisic acid

Structure Search

SMILES

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

InChI

InChIKey=UOPCPHJGGRTYNC-UHFFFAOYSA-N

InChI=1S/C9H10O3S/c1-12-8-5-6(13-2)3-4-7(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 `Tue Apr 01 19:16:26 GMT 2025` Edited by `admin` on `Tue Apr 01 19:16:26 GMT 2025`
Record UNII	GZB9S564BH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Methoxy-4-(methylthio)benzoic acid

Preferred Name

English

4-(Methylthio)-o-anisic acid

Common Name

English

Benzoic acid, 2-methoxy-4-(methylthio)-

Systematic Name

English

Code System Code Type Description

FDA UNII

GZB9S564BH

Created by admin on Tue Apr 01 19:16:26 GMT 2025 , Edited by admin on Tue Apr 01 19:16:26 GMT 2025

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PUBCHEM

643329

Created by admin on Tue Apr 01 19:16:26 GMT 2025 , Edited by admin on Tue Apr 01 19:16:26 GMT 2025

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CAS

72856-73-6

Created by admin on Tue Apr 01 19:16:26 GMT 2025 , Edited by admin on Tue Apr 01 19:16:26 GMT 2025

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ECHA (EC/EINECS)

276-948-6

Created by admin on Tue Apr 01 19:16:26 GMT 2025 , Edited by admin on Tue Apr 01 19:16:26 GMT 2025

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EPA CompTox

DTXSID50223161

Created by admin on Tue Apr 01 19:16:26 GMT 2025 , Edited by admin on Tue Apr 01 19:16:26 GMT 2025

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