2-(1 H-Benzoimidazol-2-Ylsulfanyl)-Butyric Acid
[CAS# 21547-71-7]

Identification

• Name: 2-(1 H-Benzoimidazol-2-Ylsulfanyl)-Butyric Acid
• Synonyms: (2S)-2-(1H-Benzimidazol-2-Ylthio)Butanoate; (2S)-2-(1H-Benzimidazol-2-Ylthio)Butyrate; Zinc00091120
• Molecular Formula: C₁₁H₁₁N₂O₂S
• Molecular Weight: 235.28
• CAS Registry Number: 21547-71-7
• SMILES: [C@@H](SC2=NC1=CC=CC=C1[NH]2)(C([O-])=O)CC
• InChI: 1S/C11H12N2O2S/c1-2-9(10(14)15)16-11-12-7-5-3-4-6-8(7)13-11/h3-6,9H,2H2,1H3,(H,12,13)(H,14,15)/p-1/t9-/m0/s1
• InChIKey: PUNPYITWFHQFFX-VIFPVBQESA-M

Properties

• Boiling point: 460.998°C at 760 mmHg (Cal.)
• Flash point: 232.604°C (Cal.)