4-Allyl-5-(4-isopropylphenyl)-4H-1,2,4-triazole-3-thiol
[CAS# 669729-26-4]

Identification

• Name: 4-Allyl-5-(4-isopropylphenyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-[4-(methylethyl)phenyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; 5-[4-(propan-2-yl)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; MFCD04058719
• Molecular Formula: C₁₄H₁₇N₃S
• Molecular Weight: 259.37
• CAS Registry Number: 669729-26-4
• SMILES: CC(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)S
• InChI: 1S/C14H17N3S/c1-4-9-17-13(15-16-14(17)18)12-7-5-11(6-8-12)10(2)3/h4-8,10H,1,9H2,2-3H3,(H,16,18)
• InChIKey: PNTLJYXWEGOQAV-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 404.1±48.0°C at 760 mmHg (Cal.)
• Flash point: 198.2±29.6°C (Cal.)
• Refractive index: 1.61 (Cal.)

Safety Data

• Safety Description: IRRITANT