5-[(2,6-Dimethylphenoxy)Methyl]-4-Phenyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 64013-53-2]

Identification

• Name: 5-[(2,6-Dimethylphenoxy)Methyl]-4-Phenyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: Nsc326174; Stk139556; 5-[(2,6-Dimethylphenoxy)Methyl]-4-Phenyl-4H-1,2,4-Triazole-3-Thiol
• Molecular Formula: C₁₇H₁₇N₃OS
• Molecular Weight: 311.40
• CAS Registry Number: 64013-53-2
• SMILES: C1=CC=CC=C1N2C(=S)NN=C2COC3=C(C)C=CC=C3C
• InChI: 1S/C17H17N3OS/c1-12-7-6-8-13(2)16(12)21-11-15-18-19-17(22)20(15)14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H,19,22)
• InChIKey: LWXUOBXLPCBGRG-UHFFFAOYSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 433.486°C at 760 mmHg (Cal.)
• Flash point: 215.965°C (Cal.)