2-(1-Ethyl-1 H-Benzoimidazol-2-Ylsulfanyl)-Butyric Acid
[CAS# 436088-88-9]

Identification

• Name: 2-(1-Ethyl-1 H-Benzoimidazol-2-Ylsulfanyl)-Butyric Acid
• Synonyms: (2S)-2-[(1-Ethyl-2-Benzimidazolyl)Thio]Butanoate; (2S)-2-[(1-Ethylbenzimidazol-2-Yl)Thio]Butyrate; Zinc00202025
• Molecular Formula: C₁₃H₁₅N₂O₂S
• Molecular Weight: 263.33
• CAS Registry Number: 436088-88-9
• SMILES: [C@@H](SC1=NC2=C([N]1CC)C=CC=C2)(C([O-])=O)CC
• InChI: 1S/C13H16N2O2S/c1-3-11(12(16)17)18-13-14-9-7-5-6-8-10(9)15(13)4-2/h5-8,11H,3-4H2,1-2H3,(H,16,17)/p-1/t11-/m0/s1
• InChIKey: JYHMGYVPBMLDQO-NSHDSACASA-M

Properties

• Boiling point: 450.527°C at 760 mmHg (Cal.)
• Flash point: 226.271°C (Cal.)