2,5-Dimethylsulfanilic acid

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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 2,5-Dimethylsulfanilic acid

Structure Search

SMILES

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

InChI

InChIKey=QTYQPEBQHHUSIK-UHFFFAOYSA-N

InChI=1S/C8H11NO3S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/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 `Sat Dec 16 11:58:44 GMT 2023` Edited by `admin` on `Sat Dec 16 11:58:44 GMT 2023`
Record UNII	367YWG3CZ4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,5-Dimethylsulfanilic acid

Systematic Name

English

Benzenesulfonic acid, 4-amino-2,5-dimethyl-

Systematic Name

English

4-Amino-2,5-dimethylbenzenesulfonic acid

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

248-718-5

Created by admin on Sat Dec 16 11:58:44 GMT 2023 , Edited by admin on Sat Dec 16 11:58:44 GMT 2023

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PUBCHEM

119744

Created by admin on Sat Dec 16 11:58:44 GMT 2023 , Edited by admin on Sat Dec 16 11:58:44 GMT 2023

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EPA CompTox

DTXSID5067346

Created by admin on Sat Dec 16 11:58:44 GMT 2023 , Edited by admin on Sat Dec 16 11:58:44 GMT 2023

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FDA UNII

367YWG3CZ4

Created by admin on Sat Dec 16 11:58:44 GMT 2023 , Edited by admin on Sat Dec 16 11:58:44 GMT 2023

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CAS

27897-08-1

Created by admin on Sat Dec 16 11:58:44 GMT 2023 , Edited by admin on Sat Dec 16 11:58:44 GMT 2023

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