4-Ethyl-5-(2-Phenylethyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 590376-41-3]

Identification

• Name: 4-Ethyl-5-(2-Phenylethyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-ethyl-5-(2-phenylethyl)-1,2,4-triazole-3-thiol; 4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol; 4-Ethyl-5-phenethyl-4H-[1,2,4]triazole-3-thiol
• Molecular Formula: C₁₂H₁₅N₃S
• Molecular Weight: 233.33
• CAS Registry Number: 590376-41-3
• SMILES: CCN1C(=NN=C1S)CCC2=CC=CC=C2
• InChI: 1S/C12H15N3S/c1-2-15-11(13-14-12(15)16)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16)
• InChIKey: IHABNHSBRZLTSX-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 412.8±38.0°C at 760 mmHg (Cal.)
• Flash point: 203.4±26.8°C (Cal.)
• Refractive index: 1.629 (Cal.)

Safety Data

• Safety Description: IRRITANT