U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow 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

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

Approval Year

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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