7-Benzothiazolesulfonic acid, 2-[4-(5-amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-

Base Information

• Chemical Name: 7-Benzothiazolesulfonic acid, 2-[4-(5-amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-
• CAS No.: 65072-39-1
• Molecular Formula: C25H20 N2 O3 S2
• Molecular Weight: 460.5679
• European Community (EC) Number: 265-368-9
• DSSTox Substance ID: DTXSID8070176
• Nikkaji Number: J286.645E
• Wikidata: Q81997385
• Mol file: 65072-39-1.mol

Synonyms:65072-39-1;EINECS 265-368-9;7-Benzothiazolesulfonic acid, 2-[4-(5-amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-;2-(4-(5-Amino-6-methyl-2-naphthyl)phenyl)-6-methylbenzothiazole-7-sulphonic acid;C25H20N2O3S2;7-Benzothiazolesulfonic acid, 2-(4-(5-amino-6-methyl-2-naphthalenyl)phenyl)-6-methyl-;2-[4-(5-amino-6-methyl-2-naphthyl)phenyl]-6-methylbenzothiazole-7-sulphonic acid;2-[4-(5-amino-6-methylnaphthalen-2-yl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid;DTXSID8070176;C25-H20-N2-O3-S2;2-(4-(5-Amino-6-methylnaphthalen-2-yl)phenyl)-6-methylbenzo[d]thiazole-7-sulfonic acid;2-[4-(5-Amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-7-benzothiazolesulfonic acid

Chemical Property of 7-Benzothiazolesulfonic acid, 2-[4-(5-amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-

Chemical Property:

• PSA: 129.90000
• Density: 1.401g/cm³
• LogP: 7.89120
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 460.09153485
• Heavy Atom Count: 32
• Complexity: 764

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)C=C(C=C2)C3=CC=C(C=C3)C4=NC5=C(S4)C(=C(C=C5)C)S(=O)(=O)O)N