[2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-

Base Information

• Chemical Name: [2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-
• CAS No.: 5855-97-0
• Molecular Formula: C₂₁H₁₅N₃O₃S₃
• Molecular Weight: 453.566
• European Community (EC) Number: 227-470-1
• DSSTox Substance ID: DTXSID7064029
• Nikkaji Number: J182.584D
• Wikidata: Q27162513
• ChEMBL ID: CHEMBL3990589
• Mol file: 5855-97-0.mol

Synonyms:5855-97-0;primuline (acid form);[2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-;2-(4-aminophenyl)-6-methyl[2,6'-bibenzothiazole]-7-sulphonic acid;EINECS 227-470-1;2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid;90268-11-4;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-;[2,6'-Bibenzothiazole]-7-sulfonic acid, 2-(4-aminophenyl)-6-methyl-;primuline free acid;CHEMBL3990589;DTXSID7064029;SCHEMBL10605029;CHEBI:90402;C21H15N3O3S3;EINECS 290-810-2;C21-H15-N3-O3-S3;Q27162513;2'-(4-Aminophenyl)-6-methyl-2,6'-bi[benzothiazole]-7-sulfonic acid;2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonic acid;[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

Chemical Property of [2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-

Chemical Property:

• PSA: 167.56000
• LogP: 6.43830
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 453.02755487
• Heavy Atom Count: 30
• Complexity: 725

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)N)S(=O)(=O)O