5-Mesyl-2-[(2-nitrophenyl)thio]aniline

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H12N2O4S2
Molecular Weight	324.375
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline

Structure Search

SMILES

CS(=O)(=O)C1=CC=C(SC2=CC=CC=C2[N+]([O-])=O)C(N)=C1

InChI

InChIKey=QVTHYCXLXGKSTI-UHFFFAOYSA-N

InChI=1S/C13H12N2O4S2/c1-21(18,19)9-6-7-12(10(14)8-9)20-13-5-3-2-4-11(13)15(16)17/h2-8H,14H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H12N2O4S2
Molecular Weight	324.375
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 `Sat Dec 16 12:35:42 GMT 2023` Edited by `admin` on `Sat Dec 16 12:35:42 GMT 2023`
Record UNII	M4HX59V2CR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Mesyl-2-[(2-nitrophenyl)thio]aniline

Systematic Name

English

5-(Methylsulfonyl)-2-[(2-nitrophenyl)thio]benzenamine

Systematic Name

English

Benzenamine, 5-(methylsulfonyl)-2-[(2-nitrophenyl)thio]-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

298-153-3

Created by admin on Sat Dec 16 12:35:42 GMT 2023 , Edited by admin on Sat Dec 16 12:35:42 GMT 2023

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FDA UNII

M4HX59V2CR

Created by admin on Sat Dec 16 12:35:42 GMT 2023 , Edited by admin on Sat Dec 16 12:35:42 GMT 2023

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EPA CompTox

DTXSID70239628

Created by admin on Sat Dec 16 12:35:42 GMT 2023 , Edited by admin on Sat Dec 16 12:35:42 GMT 2023

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PUBCHEM

3022327

Created by admin on Sat Dec 16 12:35:42 GMT 2023 , Edited by admin on Sat Dec 16 12:35:42 GMT 2023

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CAS

93778-19-9

Created by admin on Sat Dec 16 12:35:42 GMT 2023 , Edited by admin on Sat Dec 16 12:35:42 GMT 2023

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