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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H9NO3S
Molecular Weight 187.216
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-AMINO-2-METHYLBENZENESULFONIC ACID

SMILES

CC1=CC=C(N)C=C1S(O)(=O)=O

InChI

InChIKey=BRKFTWHPLMMNHF-UHFFFAOYSA-N
InChI=1S/C7H9NO3S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-22958
Preferred Name English
5-AMINO-2-METHYLBENZENESULFONIC ACID
Systematic Name English
3-AMINO-6-METHYLBENZENESULFONIC ACID
Systematic Name English
1-AMINO-4-METHYLBENZENE-3-SULFONIC ACID
Systematic Name English
3-SULFO-4-METHYLANILINE
Systematic Name English
5-AMINO-2-METHYL-1-SULFOBENZENE
Systematic Name English
P-TOLUIDINE-O-SULFONIC ACID
Common Name English
4-AMINO-2-SULFOTOLUENE
Systematic Name English
4-AMINOTOLUENE-2-SULFONIC ACID
Systematic Name English
BENZENESULFONIC ACID, 5-AMINO-2-METHYL-
Systematic Name English
5-AMINO-O-TOLUENESULFONIC ACID
Common Name English
4-METHYL-3-SULFOANILINE
Systematic Name English
4-TOLUIDINE-3-SULFONIC ACID
Systematic Name English
NSC-5586
Code English
Code System Code Type Description
FDA UNII
G90628U043
Created by admin on Mon Mar 31 19:31:48 GMT 2025 , Edited by admin on Mon Mar 31 19:31:48 GMT 2025
PRIMARY
NSC
22958
Created by admin on Mon Mar 31 19:31:48 GMT 2025 , Edited by admin on Mon Mar 31 19:31:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID0044523
Created by admin on Mon Mar 31 19:31:48 GMT 2025 , Edited by admin on Mon Mar 31 19:31:48 GMT 2025
PRIMARY
PUBCHEM
67054
Created by admin on Mon Mar 31 19:31:48 GMT 2025 , Edited by admin on Mon Mar 31 19:31:48 GMT 2025
PRIMARY
ECHA (EC/EINECS)
204-282-8
Created by admin on Mon Mar 31 19:31:48 GMT 2025 , Edited by admin on Mon Mar 31 19:31:48 GMT 2025
PRIMARY
NSC
5586
Created by admin on Mon Mar 31 19:31:48 GMT 2025 , Edited by admin on Mon Mar 31 19:31:48 GMT 2025
PRIMARY
CAS
118-88-7
Created by admin on Mon Mar 31 19:31:48 GMT 2025 , Edited by admin on Mon Mar 31 19:31:48 GMT 2025
PRIMARY