2-(3-Thienyl)-1H-benzimidazole-6-carboxylic acid
[CAS 904817-95-4]

Identification

• Name: 2-(3-Thienyl)-1H-benzimidazole-6-carboxylic acid
• Synonyms: 2-(thiophen-3-yl)-1H-1,3-benzodiazole-6-carboxylic acid; 2-Thiophen-3-yl-3H-benzoimidazole-5-carboxylic acid; 2-THIOPHEN-3-YL-3H-BENZOIMIDAZOLE-5-CARBOXYLICACID
• Molecular Formula: C₁₂H₈N₂O₂S
• Molecular Weight: 244.27
• CAS Registry Number: 904817-95-4
• SMILES: O=C(O)c3cc2c(nc(c1ccsc1)n2)cc3
• InChI: 1S/C12H8N2O2S/c15-12(16)7-1-2-9-10(5-7)14-11(13-9)8-3-4-17-6-8/h1-6H,(H,13,14)(H,15,16)
• InChIKey: ZOXFQZQNPSLJFK-UHFFFAOYSA-N

Properties

• Density: 1.504g/cm³ (Cal.)
• Boiling point: 551.302°C at 760 mmHg (Cal.)
• Flash point: 287.217°C (Cal.)
• Refractive index: 1.756 (Cal.)