4-Allyl-5-(2-Phenylethyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 590376-39-9]

Identification

• Name: 4-Allyl-5-(2-Phenylethyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-(2-phenylethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazole-3-thiol; MFCD03946375
• Molecular Formula: C₁₃H₁₅N₃S
• Molecular Weight: 245.34
• CAS Registry Number: 590376-39-9
• SMILES: C=CCN1C(=NN=C1S)CCC2=CC=CC=C2
• InChI: 1S/C13H15N3S/c1-2-10-16-12(14-15-13(16)17)9-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,15,17)
• InChIKey: SUVDKGDAFNEOAN-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 422.6±48.0°C at 760 mmHg (Cal.)
• Flash point: 209.4±29.6°C (Cal.)
• Refractive index: 1.618 (Cal.)

Safety Data

• Safety Description: IRRITANT