3-(2-Chlorophenyl)-4-Phenyl-5-(Propylthio)-4H-1,2,4-Triazole
[CAS# 81518-32-3]

Identification

• Name: 3-(2-Chlorophenyl)-4-Phenyl-5-(Propylthio)-4H-1,2,4-Triazole
• Synonyms: 3-(2-Chlorophenyl)-4-Phenyl-5-(Propylthio)-1,2,4-Triazole; 3-(2-Chlorophenyl)-4-Phenyl-5-(Propylthio)-4H-1,2,4-Triazole; 4H-1,2,4-Triazole, 3-(2-Chlorophenyl)-4-Phenyl-5-(Propylthio)-
• Molecular Formula: C₁₇H₁₆ClN₃S
• Molecular Weight: 329.85
• CAS Registry Number: 81518-32-3
• SMILES: C1=CC=CC=C1[N]2C(=NN=C2SCCC)C3=CC=CC=C3Cl
• InChI: 1S/C17H16ClN3S/c1-2-12-22-17-20-19-16(14-10-6-7-11-15(14)18)21(17)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
• InChIKey: REQPGGSENYIQKL-UHFFFAOYSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 515.294°C at 760 mmHg (Cal.)
• Flash point: 265.44°C (Cal.)