3-{[5-(1H-Benzimidazol-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid
[CAS# 606117-05-9]

Identification

• Name: 3-{[5-(1H-Benzimidazol-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid
• Synonyms: 3-((5-(1H-benzo[d]imidazol-5-yl)-1,3,4-oxadiazol-2-yl)thio)propanoic acid; 3-[5-(1H-Benzoimidazol-5-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-propionic acid; ASN 06346974
• Molecular Formula: C₁₂H₁₀N₄O₃S
• Molecular Weight: 290.30
• CAS Registry Number: 606117-05-9
• SMILES: O=C(O)CCSc1nnc(o1)c3ccc2ncnc2c3
• InChI: 1S/C12H10N4O3S/c17-10(18)3-4-20-12-16-15-11(19-12)7-1-2-8-9(5-7)14-6-13-8/h1-2,5-6H,3-4H2,(H,13,14)(H,17,18)
• InChIKey: AHOWGKHGBIHFAS-UHFFFAOYSA-N

Properties

• Density: 1.596g/cm³ (Cal.)
• Boiling point: 683.647°C at 760 mmHg (Cal.)
• Flash point: 367.256°C (Cal.)
• Refractive index: 1.727 (Cal.)