5-Isopropyl-4-Methyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 588680-36-8]

Identification

• Name: 5-Isopropyl-4-Methyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 3-isopropyl-4-methyl-1H-1,2,4-triazole-5(4H)-thione; 4-methyl-5-(methylethyl)-1,2,4-triazole-3-thiol; 4-methyl-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₆H₁₁N₃S
• Molecular Weight: 157.24
• CAS Registry Number: 588680-36-8
• SMILES: CC(C)C1=NN=C(N1C)S
• InChI: 1S/C6H11N3S/c1-4(2)5-7-8-6(10)9(5)3/h4H,1-3H3,(H,8,10)
• InChIKey: GYHLFQXWXOVOKL-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 279.8±23.0°C at 760 mmHg (Cal.)
• Flash point: 123.0±22.6°C (Cal.)
• Refractive index: 1.619 (Cal.)

Safety Data

• Safety Description: IRRITANT