4-[(2,3-dichlorobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-[(2,3-dichlorobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 5797-31-9
• Molecular Formula: C15H10Cl2N4S
• Molecular Weight: 349.2377
• DSSTox Substance ID: DTXSID30417122
• Mol file: 5797-31-9.mol

Synonyms:420813-25-8;4-[(2,3-dichlorobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol;5797-31-9;AC1NT1W7;4-((2,3-DICHLOROBENZYLIDENE)AMINO)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL;DTXSID30417122;STL038861;AKOS000995958;AKOS005692504;Z49888972;4-{[(E)-(2,3-dichlorophenyl)methylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property of 4-[(2,3-dichlorobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 5.24E-09mmHg at 25°C
• Boiling Point: 470°C at 760 mmHg
• Flash Point: 238.1°C
• Density: 1.45g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 348.0003229
• Heavy Atom Count: 22
• Complexity: 476

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C(=CC=C3)Cl)Cl
• Isomeric SMILES: C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=C(C(=CC=C3)Cl)Cl