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Details

Stereochemistry ACHIRAL
Molecular Formula C7H9NO2S
Molecular Weight 171.217
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Methylsulfonyl)aniline

SMILES

CS(=O)(=O)C1=CC=C(N)C=C1

InChI

InChIKey=XJEVFFNOMKXBLU-UHFFFAOYSA-N
InChI=1S/C7H9NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C7H9NO2S
Molecular Weight 171.217
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 19:17:30 GMT 2025
Edited
by admin
on Tue Apr 01 19:17:30 GMT 2025
Record UNII
UZ65E6P9TF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Methylsulfonyl)aniline
Systematic Name English
4-Mesylaniline
Preferred Name English
Aniline, p-(methylsulfonyl)-
Systematic Name English
AI3-08088
Code English
NSC-27552
Code English
NSC-229035
Code English
4-(Methylsulfonyl)benzenamine
Systematic Name English
Benzenamine, 4-(methylsulfonyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
79617
Created by admin on Tue Apr 01 19:17:30 GMT 2025 , Edited by admin on Tue Apr 01 19:17:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID50203165
Created by admin on Tue Apr 01 19:17:30 GMT 2025 , Edited by admin on Tue Apr 01 19:17:30 GMT 2025
PRIMARY
NSC
27552
Created by admin on Tue Apr 01 19:17:30 GMT 2025 , Edited by admin on Tue Apr 01 19:17:30 GMT 2025
PRIMARY
CAS
5470-49-5
Created by admin on Tue Apr 01 19:17:30 GMT 2025 , Edited by admin on Tue Apr 01 19:17:30 GMT 2025
PRIMARY
NSC
229035
Created by admin on Tue Apr 01 19:17:30 GMT 2025 , Edited by admin on Tue Apr 01 19:17:30 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-803-8
Created by admin on Tue Apr 01 19:17:30 GMT 2025 , Edited by admin on Tue Apr 01 19:17:30 GMT 2025
PRIMARY
FDA UNII
UZ65E6P9TF
Created by admin on Tue Apr 01 19:17:30 GMT 2025 , Edited by admin on Tue Apr 01 19:17:30 GMT 2025
PRIMARY