2-(Imidazol-1-Ylmethyl)-4,5-Dihydro-1-Benzothiophene-6-Carboxylic Acid
[CAS# 114686-12-3]

Identification

• Name: 2-(Imidazol-1-Ylmethyl)-4,5-Dihydro-1-Benzothiophene-6-Carboxylic Acid
• Synonyms: 2-(Imidazol-1-Ylmethyl)-4,5-Dihydrobenzothiophene-6-Carboxylic Acid; 2-(1-Imidazolylmethyl)-4,5-Dihydrobenzothiophene-6-Carboxylic Acid; 2-(1H-Imidazol-1-Ylmethyl)-4,5-Dihydrobenzo(B)Thiophene-6-Carboxylic Acid
• Molecular Formula: C₁₃H₁₂N₂O₂S
• Molecular Weight: 260.31
• CAS Registry Number: 114686-12-3
• SMILES: C1=C(SC2=C1CCC(=C2)C(O)=O)C[N]3C=CN=C3
• InChI: 1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)
• InChIKey: KRBSZXUPPSXPAN-UHFFFAOYSA-N

Properties

• Density: 1.439g/cm³ (Cal.)
• Boiling point: 494.635°C at 760 mmHg (Cal.)
• Flash point: 252.947°C (Cal.)