4-Allyl-5-Isopropyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 590376-67-3]

Identification

• Name: 4-Allyl-5-Isopropyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-(methylethyl)-4-prop-2-enyl-1,2,4-triazole-3-thiol; 5-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; MFCD03423412
• Molecular Formula: C₈H₁₃N₃S
• Molecular Weight: 183.27
• CAS Registry Number: 590376-67-3
• SMILES: CC(C)C1=NN=C(N1CC=C)S
• InChI: 1S/C8H13N3S/c1-4-5-11-7(6(2)3)9-10-8(11)12/h4,6H,1,5H2,2-3H3,(H,10,12)
• InChIKey: XHQBOBWLBDYQDW-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 306.9±35.0°C at 760 mmHg (Cal.)
• Flash point: 139.4±25.9°C (Cal.)
• Refractive index: 1.59 (Cal.)

Safety Data

• Safety Description: IRRITANT