5-(4-Pentylphenyl)-1,2-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS# 261704-48-7]

Identification

• Name: 5-(4-Pentylphenyl)-1,2-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: 5-(4-n-Pentylphenyl)-4H-1,2,4-triazole-3-thiol; Maybridge1_008479; ZINC02149212
• Molecular Formula: C₁₃H₁₇N₃S
• Molecular Weight: 247.36
• CAS Registry Number: 261704-48-7
• SMILES: S=C2/N=C(/c1ccc(cc1)CCCCC)NN2
• InChI: 1S/C13H17N3S/c1-2-3-4-5-10-6-8-11(9-7-10)12-14-13(17)16-15-12/h6-9H,2-5H2,1H3,(H2,14,15,16,17)
• InChIKey: QJXDYMISGLBANE-UHFFFAOYSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Melting point: 190-193°C (Expl.)
• Boiling point: 341.938°C at 760 mmHg (Cal.)
• Flash point: 160.599°C (Cal.)
• Refractive index: 1.631 (Cal.)

Safety Data

• Safety Description: Irritant