5-(4-Isobutoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
[CAS 69198-31-8]

Identification

• Name: 5-(4-Isobutoxybenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Synonyms: 4H-1,2,4-Triazole-3-thiol, 4-methyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-; 4-methyl-5-[4-(2-methylpropoxy)benzyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione; 4-methyl-5-[4-(2-methylpropoxy)benzyl]-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₄H₁₉N₃OS
• Molecular Weight: 277.39
• CAS Registry Number: 69198-31-8
• SMILES: S=C1N(\C(=N/N1)Cc2ccc(OCC(C)C)cc2)C
• InChI: 1S/C14H19N3OS/c1-10(2)9-18-12-6-4-11(5-7-12)8-13-15-16-14(19)17(13)3/h4-7,10H,8-9H2,1-3H3,(H,16,19)
• InChIKey: XISSIJGGDYOKHE-UHFFFAOYSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 379.335°C at 760 mmHg (Cal.)
• Flash point: 183.215°C (Cal.)