4-Isopropyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
[CAS# 667412-77-3]

Identification

• Name: 4-Isopropyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-(methylethyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol; 4-(propan-2-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol; 4-Isopropyl-5-thien-2-yl-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₉H₁₁N₃S₂
• Molecular Weight: 225.33
• CAS Registry Number: 667412-77-3
• SMILES: CC(C)N1C(=NN=C1S)C2=CC=CS2
• InChI: 1S/C9H11N3S2/c1-6(2)12-8(10-11-9(12)13)7-4-3-5-14-7/h3-6H,1-2H3,(H,11,13)
• InChIKey: FECBPIBGHFCASY-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 389.1±34.0°C at 760 mmHg (Cal.)
• Flash point: 189.1±25.7°C (Cal.)
• Refractive index: 1.716 (Cal.)

Safety Data

• Safety Description: IRRITANT