4-Allyl-5-(4-methoxybenzyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
[CAS# 69198-37-4]

Identification

• Name: 4-Allyl-5-(4-methoxybenzyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Synonyms: 4-Allyl-5-(4-methoxy-benzyl)-4H-[1,2,4]triazole-3-thiol; 4-allyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl hydrosulfide; 5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₃H₁₅N₃OS
• Molecular Weight: 261.34
• CAS Registry Number: 69198-37-4
• SMILES: S=C1N(\C(=N/N1)Cc2ccc(OC)cc2)C\C=C
• InChI: 1S/C13H15N3OS/c1-3-8-16-12(14-15-13(16)18)9-10-4-6-11(17-2)7-5-10/h3-7H,1,8-9H2,2H3,(H,15,18)
• InChIKey: JPOUKOSETNCWJH-UHFFFAOYSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 446.52°C at 760 mmHg (Cal.)
• Flash point: 223.848°C (Cal.)

Safety Data

• Safety Description: IRRITANT