Dentacolor

Base Information

• Chemical Name: Dentacolor
• CAS No.: 96935-47-6
• Molecular Formula: C23H16ClN3OS
• Molecular Weight: 417.91
• DSSTox Substance ID: DTXSID70914241

Synonyms:5-(2'-naphthyl)-7-4-chlorophenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one;PDCL

Chemical Property of Dentacolor

Chemical Property:

• Vapor Pressure: 1.67E-13mmHg at 25°C
• Boiling Point: 581.3°C at 760 mmHg
• Flash Point: 305.3°C
• Density: 1.41g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 417.0702610
• Heavy Atom Count: 29
• Complexity: 755

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CN=C(C2=C(N1)C(=O)N(C2=S)C3=CC=C(C=C3)Cl)C4=CC5=CC=CC=C5C=C4

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