2-Amino-3,5-dimethylbenzenesulfonic acid

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H11NO3S
Molecular Weight	201.243
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Amino-3,5-dimethylbenzenesulfonic acid

Structure Search

SMILES

CC1=CC(C)=C(N)C(=C1)S(O)(=O)=O

InChI

InChIKey=CFCXQQUQLZIZPI-UHFFFAOYSA-N

InChI=1S/C8H11NO3S/c1-5-3-6(2)8(9)7(4-5)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)

HIDE SMILES / InChI

Molecular Formula	C8H11NO3S
Molecular Weight	201.243
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 19:08:08 GMT 2025` Edited by `admin` on `Tue Apr 01 19:08:08 GMT 2025`
Record UNII	63P9YT6N5W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-7548

Preferred Name

English

2-Amino-3,5-dimethylbenzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 2-amino-3,5-dimethyl-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

201-811-4

Created by admin on Tue Apr 01 19:08:08 GMT 2025 , Edited by admin on Tue Apr 01 19:08:08 GMT 2025

PRIMARY

NSC

7548

Created by admin on Tue Apr 01 19:08:08 GMT 2025 , Edited by admin on Tue Apr 01 19:08:08 GMT 2025

PRIMARY

EPA CompTox

DTXSID2058962

Created by admin on Tue Apr 01 19:08:08 GMT 2025 , Edited by admin on Tue Apr 01 19:08:08 GMT 2025

PRIMARY

FDA UNII

63P9YT6N5W

Created by admin on Tue Apr 01 19:08:08 GMT 2025 , Edited by admin on Tue Apr 01 19:08:08 GMT 2025

PRIMARY

CAS

88-22-2

Created by admin on Tue Apr 01 19:08:08 GMT 2025 , Edited by admin on Tue Apr 01 19:08:08 GMT 2025

PRIMARY

PUBCHEM

66608

Created by admin on Tue Apr 01 19:08:08 GMT 2025 , Edited by admin on Tue Apr 01 19:08:08 GMT 2025

PRIMARY