Cas no 5855-97-0 (2-(4-Aminophenyl)-6-methyl(2,6-bibenzothiazole)-7-sulphonic acid)

2-(4-Aminophenyl)-6-methyl(2,6-bibenzothiazole)-7-sulphonic acid structure
5855-97-0 structure
Product Name:2-(4-Aminophenyl)-6-methyl(2,6-bibenzothiazole)-7-sulphonic acid
CAS No:5855-97-0
MF:C21H15N3O3S3
MW:453.557100534439
CID:368205
PubChem ID:79954
Update Time:2025-04-19

2-(4-Aminophenyl)-6-methyl(2,6-bibenzothiazole)-7-sulphonic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Aminophenyl)-6-methyl(2,6-bibenzothiazole)-7-sulphonic acid
    • 2-(4-aminophenyl)-6-methyl[2,6'-bibenzothiazole]-7-sulphonic acid
    • 2-(2-(4aminophenyl)benzo[d]thiazol-6-yl)-6-methylbenzo[d]thiazole-7-sulfonic acid
    • 2'-(4-Aminophenyl)-6-methyl-2,6'-bi[benzothiazole]-7-sulfonic acid
    • 2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
    • 2-[2-(4-Aminophenyl)benzothiazol-6-yl]-6-methyl-7-benzothiazolesulfonic acid
    • 2-[2-(4-azanylphenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
    • primuline (acid form)
    • 2-(4-Aminophenyl)-6-methyl(2,6'-bibenzothiazole)-7-sulphonic acid
    • (2,6'-Bibenzothiazole)-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-
    • [2,6'-Bibenzothiazole]-7-sulfonic acid,2'-(4-aminophenyl)-6-methyl-,diazotized,coupled with diazotized aniline,diazotized 2-(4-aminophenyl)-6-methyl-7-benzothiazolesulfonic acid and resorcinol,so
    • DTXSID7064029
    • Q27162513
    • EINECS 227-470-1
    • [2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-
    • primuline free acid
    • 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonic acid
    • CHEMBL3990589
    • NS00033955
    • BDBM50597990
    • CHEBI:90402
    • 5855-97-0
    • SCHEMBL10605029
    • 90268-11-4
    • 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)
    • InChI Key： CTPFWVHDVOKBSN-UHFFFAOYSA-N
    • SMILES： S1C(C2=CC=C3C(=C2)SC(C2C=CC(=CC=2)N)=N3)=NC2=CC=C(C)C(=C12)S(=O)(=O)O

Computed Properties

  • Exact Mass: 454.03500
  • Monoisotopic Mass: 453.028
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 358
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 7.2
  • Topological Polar Surface Area: 171A^2

Experimental Properties

  • Refractive Index: 1.755
  • PSA: 167.56000
  • LogP: 6.43830

2-(4-Aminophenyl)-6-methyl(2,6-bibenzothiazole)-7-sulphonic acid Related Literature

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