5-Amino-6-hydroxytoluene-3-sulfonic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H9NO4S
Molecular Weight	203.216
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Amino-6-hydroxytoluene-3-sulfonic acid

Structure Search

SMILES

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

InChI

InChIKey=SZQZZSQCYWQUBY-UHFFFAOYSA-N

InChI=1S/C7H9NO4S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3,9H,8H2,1H3,(H,10,11,12)

HIDE SMILES / InChI

Molecular Formula	C7H9NO4S
Molecular Weight	203.216
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 18:49:42 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:42 GMT 2025`
Record UNII	W34RTQ8ERQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Amino-6-hydroxytoluene-3-sulfonic acid

Systematic Name

English

5-Amino-6-hydroxytoluene-3-sulphonic acid

Preferred Name

English

Benzenesulfonic acid, 3-amino-4-hydroxy-5-methyl-

Systematic Name

English

3-Amino-4-hydroxy-5-methylbenzenesulfonic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

W34RTQ8ERQ

Created by admin on Tue Apr 01 18:49:42 GMT 2025 , Edited by admin on Tue Apr 01 18:49:42 GMT 2025

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ECHA (EC/EINECS)

305-327-5

Created by admin on Tue Apr 01 18:49:42 GMT 2025 , Edited by admin on Tue Apr 01 18:49:42 GMT 2025

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EPA CompTox

DTXSID00241491

Created by admin on Tue Apr 01 18:49:42 GMT 2025 , Edited by admin on Tue Apr 01 18:49:42 GMT 2025

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PUBCHEM

3024358

Created by admin on Tue Apr 01 18:49:42 GMT 2025 , Edited by admin on Tue Apr 01 18:49:42 GMT 2025

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CAS

94442-01-0

Created by admin on Tue Apr 01 18:49:42 GMT 2025 , Edited by admin on Tue Apr 01 18:49:42 GMT 2025

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