4-Ethyl-5-(2-thienylmethyl)-4H-1,2,4-triazole-3-thiol
[CAS# 667435-85-0]

Identification

• Name: 4-Ethyl-5-(2-thienylmethyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-ethyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione; 4-ethyl-5-(2-thienylmethyl)-1,2,4-triazole-3-thiol; 4-Ethyl-5-(thien-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₉H₁₁N₃S₂
• Molecular Weight: 225.33
• CAS Registry Number: 667435-85-0
• SMILES: CCN1C(=NN=C1S)CC2=CC=CS2
• InChI: 1S/C9H11N3S2/c1-2-12-8(10-11-9(12)13)6-7-4-3-5-14-7/h3-5H,2,6H2,1H3,(H,11,13)
• InChIKey: YENZXJALVSDLPE-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 408.7±47.0°C at 760 mmHg (Cal.)
• Flash point: 201.0±29.3°C (Cal.)
• Refractive index: 1.714 (Cal.)

Safety Data

• Safety Description: IRRITANT