2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid

CAS Registry Number®

5855-98-1
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CAS Name

2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid

Molecular Formula

C14H12N2O6S3

Molecular Mass

400.45

Cite this Page

2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5855-98-1 (retrieved 2024-09-21) (CAS RN: 5855-98-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H12N2O6S3/c1-7-2-5-10-12(13(7)25(20,21)22)23-14(16-10)8-3-4-9(15)11(6-8)24(17,18)19/h2-6H,15H2,1H3,(H,17,18,19)(H,20,21,22)

InChIKey

InChIKey=ANZCWTMNWQPOQI-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=C2C(N=C(S2)C3=CC(S(=O)(=O)O)=C(N)C=C3)=CC=C1C

Canonical SMILES

O=S(=O)(O)C1=CC(=CC=C1N)C2=NC=3C=CC(=C(C3S2)S(=O)(=O)O)C

Other Names for this Substance

  • 7-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl-
  • 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid
  • 2-(4′-Amino-3′-sulfophenyl)-6-methylbenzothiazole-7-sulfonic acid
  • 2-(3-Sulfo-4-aminophenyl)-6-methylbenzothiazole-7-sulfonic acid
  • 2-(4-Amino-3-sulphophenyl)-6-methylbenzothiazole-7-sulphonic acid