2-{[4-Ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-thienyl)ethanone
[CAS# 606111-59-5]

Identification

• Name: 2-{[4-Ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-thienyl)ethanone
• Synonyms: 2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(thiophen-2-yl)ethanone; ASN 06164300; MLS000073511
• Molecular Formula: C₁₄H₁₃N₃O₂S₂
• Molecular Weight: 319.40
• CAS Registry Number: 606111-59-5
• SMILES: CCN1C(=NN=C1SCC(=O)C2=CC=CS2)C3=CC=CO3
• InChI: 1S/C14H13N3O2S2/c1-2-17-13(11-5-3-7-19-11)15-16-14(17)21-9-10(18)12-6-4-8-20-12/h3-8H,2,9H2,1H3
• InChIKey: UVIRHXQHFGBHNA-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 549.1±58.0°C at 760 mmHg (Cal.)
• Flash point: 285.9±32.3°C (Cal.)
• Refractive index: 1.704 (Cal.)