2′-(4-Aminophenyl)-6-methyl[2,6′-bibenzothiazole]-7-sulfonic acid

CAS Registry Number®

5855-97-0
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CAS Name

2′-(4-Aminophenyl)-6-methyl[2,6′-bibenzothiazole]-7-sulfonic acid

Molecular Formula

C21H15N3O3S3

Molecular Mass

453.56

Cite this Page

2′-(4-Aminophenyl)-6-methyl[2,6′-bibenzothiazole]-7-sulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5855-97-0 (retrieved 2024-09-18) (CAS RN: 5855-97-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H15N3O3S3/c1-11-2-8-16-18(19(11)30(25,26)27)29-21(24-16)13-5-9-15-17(10-13)28-20(23-15)12-3-6-14(22)7-4-12/h2-10H,22H2,1H3,(H,25,26,27)

InChIKey

InChIKey=CTPFWVHDVOKBSN-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=C2C(N=C(S2)C=3C=C4C(=CC3)N=C(S4)C5=CC=C(N)C=C5)=CC=C1C

Canonical SMILES

O=S(=O)(O)C=1C=2SC(=NC2C=CC1C)C3=CC=C4N=C(SC4=C3)C5=CC=C(N)C=C5

Other Names for this Substance

  • [2,6′-Bibenzothiazole]-7-sulfonic acid, 2′-(4-aminophenyl)-6-methyl-
  • 2′-(4-Aminophenyl)-6-methyl[2,6′-bibenzothiazole]-7-sulfonic acid