4-(4-Methoxyphenyl)-5-Phenyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 63279-75-4]

Identification

• Name: 4-(4-Methoxyphenyl)-5-Phenyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: Zinc00338622
• Molecular Formula: C₁₅H₁₉N₃OS
• Molecular Weight: 289.39
• CAS Registry Number: 63279-75-4
• SMILES: C3=C(N1C(=NNC1=S)C2CCCCC2)C=CC(=C3)OC
• InChI: 1S/C15H19N3OS/c1-19-13-9-7-12(8-10-13)18-14(16-17-15(18)20)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,20)
• InChIKey: XQUISGWDZQFTSG-UHFFFAOYSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 415.694°C at 760 mmHg (Cal.)
• Flash point: 205.205°C (Cal.)