4-Methyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
[CAS# 663181-83-7]

Identification

• Name: 4-Methyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-methyl-5-(2-phenylethyl)-1,2,4-triazole-3-thiol; 4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl hydrosulfide; 4-Methyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₁H₁₃N₃S
• Molecular Weight: 219.31
• CAS Registry Number: 663181-83-7
• SMILES: CN1C(=NN=C1S)CCC2=CC=CC=C2
• InChI: 1S/C11H13N3S/c1-14-10(12-13-11(14)15)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15)
• InChIKey: KISPWNDSNLAABQ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 403.0±38.0°C at 760 mmHg (Cal.)
• Flash point: 197.5±26.8°C (Cal.)
• Refractive index: 1.643 (Cal.)

Safety Data

• Safety Description: IRRITANT