4-(Pyren-1-ylmethylideneamino)-2,1,3-benzothiadiazol-5-amine

Base Information

• Chemical Name: 4-(Pyren-1-ylmethylideneamino)-2,1,3-benzothiadiazol-5-amine
• CAS No.: 7231-75-6
• Molecular Formula: C6H12 O7 . 3/2 H2 O . 1/2 Mn
• Molecular Weight: 378.4491
• DSSTox Substance ID: DTXSID00413075
• Nikkaji Number: J2.024.168C
• Mol file: 7231-75-6.mol

Synonyms:7231-75-6;AC1NRUD2;DTXSID00413075

Chemical Property of 4-(Pyren-1-ylmethylideneamino)-2,1,3-benzothiadiazol-5-amine

Chemical Property:

• Vapor Pressure: 1.36E-17mmHg at 25°C
• Boiling Point: 665.8°Cat760mmHg
• Flash Point: 356.5°C
• Density: 1.47g/cm³
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 378.09391764
• Heavy Atom Count: 28
• Complexity: 611

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=NC5=C(C=CC6=NSN=C65)N