3-Imino-5-phenyl-3H-1,2-dithiole

Base Information

• Chemical Name: 3-Imino-5-phenyl-3H-1,2-dithiole
• CAS No.: 46036-68-4
• Molecular Formula: C9H7NS2
• Molecular Weight: 193.2886
• DSSTox Substance ID: DTXSID10963490
• Wikidata: Q82945351
• Mol file: 46036-68-4.mol

Synonyms:3-imino-5-phenyl-3H-1,2-dithiole;PDTI

Chemical Property of 3-Imino-5-phenyl-3H-1,2-dithiole

Chemical Property:

• Vapor Pressure: 0.000303mmHg at 25°C
• Boiling Point: 331.3°Cat760mmHg
• Flash Point: 154.2°C
• PSA: 80.33000
• Density: 1.32g/cm³
• LogP: 3.05580
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 193.00199157
• Heavy Atom Count: 12
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=N)SS2

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