4-Propyl-5-(2-Thienyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 451501-84-1]

Identification

• Name: 4-Propyl-5-(2-Thienyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-propyl-5-(2-thienyl)-1,2,4-triazole-3-thiol; 4-propyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol; 4-Propyl-5-thien-2-yl-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₉H₁₁N₃S₂
• Molecular Weight: 225.33
• CAS Registry Number: 451501-84-1
• SMILES: CCCN1C(=NN=C1S)C2=CC=CS2
• InChI: 1S/C9H11N3S2/c1-2-5-12-8(10-11-9(12)13)7-4-3-6-14-7/h3-4,6H,2,5H2,1H3,(H,11,13)
• InChIKey: KHQDANCRFUXMJI-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 397.0±34.0°C at 760 mmHg (Cal.)
• Flash point: 193.9±25.7°C (Cal.)
• Refractive index: 1.714 (Cal.)

Safety Data

• Safety Description: IRRITANT