4-{[5-(1H-Benzimidazol-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butanenitrile
[CAS# 606117-03-7]

Identification

• Name: 4-{[5-(1H-Benzimidazol-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butanenitrile
• Synonyms: 4-((5-(1H-benzo[d]imidazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)butanenitrile
• Molecular Formula: C₁₃H₁₁N₅OS
• Molecular Weight: 285.32
• CAS Registry Number: 606117-03-7
• SMILES: N#CCCCSc1nnc(o1)c3ccc2ncnc2c3
• InChI: 1S/C13H11N5OS/c14-5-1-2-6-20-13-18-17-12(19-13)9-3-4-10-11(7-9)16-8-15-10/h3-4,7-8H,1-2,6H2,(H,15,16)
• InChIKey: SKDVKVNKJSGCRQ-UHFFFAOYSA-N

Properties

• Density: 1.445g/cm³ (Cal.)
• Boiling point: 652.66°C at 760 mmHg (Cal.)
• Flash point: 348.517°C (Cal.)
• Refractive index: 1.688 (Cal.)