2-(Methylthio)aniline

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H9NS
Molecular Weight	139.218
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(Methylthio)aniline

Structure Search

SMILES

CSC1=C(N)C=CC=C1

InChI

InChIKey=WBRPQQSADOCKCH-UHFFFAOYSA-N

InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H9NS
Molecular Weight	139.218
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 19:43:22 GMT 2025` Edited by `admin` on `Tue Apr 01 19:43:22 GMT 2025`
Record UNII	FA2L2YY5KZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(Methylthio)aniline

Systematic Name

English

NSC-41588

Preferred Name

English

o-(Methylthio)aniline

Systematic Name

English

2-(Methylthio)benzenamine

Systematic Name

English

2-(Methylmercapto)aniline

Systematic Name

English

Benzenamine, 2-(methylthio)-

Systematic Name

English

NSC-9425

Code

English

o-(Methylmercapto)aniline

Systematic Name

English

NSC-62853

Code

English

Code System Code Type Description

PUBCHEM

76337

Created by admin on Tue Apr 01 19:43:22 GMT 2025 , Edited by admin on Tue Apr 01 19:43:22 GMT 2025

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ECHA (EC/EINECS)

221-055-9

Created by admin on Tue Apr 01 19:43:22 GMT 2025 , Edited by admin on Tue Apr 01 19:43:22 GMT 2025

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NSC

62853

Created by admin on Tue Apr 01 19:43:22 GMT 2025 , Edited by admin on Tue Apr 01 19:43:22 GMT 2025

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EPA CompTox

DTXSID80183986

Created by admin on Tue Apr 01 19:43:22 GMT 2025 , Edited by admin on Tue Apr 01 19:43:22 GMT 2025

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CAS

2987-53-3

Created by admin on Tue Apr 01 19:43:22 GMT 2025 , Edited by admin on Tue Apr 01 19:43:22 GMT 2025

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NSC

41588

Created by admin on Tue Apr 01 19:43:22 GMT 2025 , Edited by admin on Tue Apr 01 19:43:22 GMT 2025

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FDA UNII

FA2L2YY5KZ

Created by admin on Tue Apr 01 19:43:22 GMT 2025 , Edited by admin on Tue Apr 01 19:43:22 GMT 2025

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