CAS 1185294-05-6

Acetic acid, 2-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)thio]-, hydrochloride (1:1)

Description:

Acetic acid, 2-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)thio]-, hydrochloride (1:1) is a chemical compound characterized by its unique structure, which includes a benzimidazole moiety and a thioether linkage. This compound is typically encountered as a hydrochloride salt, indicating that it is soluble in water and exhibits acidic properties due to the presence of acetic acid. The hexahydro-benzimidazole structure suggests that it may possess biological activity, potentially acting as a pharmacophore in medicinal chemistry. The presence of the thioether group may enhance its lipophilicity and influence its interaction with biological targets. As a hydrochloride, it is likely to be stable under standard conditions but may require careful handling due to its acidic nature. Overall, this compound's characteristics make it of interest in various fields, including pharmaceuticals and organic synthesis, where its reactivity and solubility can be advantageous.

Formula: C₉H₁₄N₂O₂S·ClH

InChI: InChI=1S/C9H14N2O2S.ClH/c12-8(13)5-14-9-10-6-3-1-2-4-7(6)11-9;/h6-7H,1-5H2,(H,10,11)(H,12,13);1H

InChI key: InChIKey=QRWWNGKAEAPMKY-UHFFFAOYSA-N

SMILES: S(CC(O)=O)C=1NC2C(N1)CCCC2.Cl

Synonyms:

• Acetic acid, 2-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)thio]-, hydrochloride (1:1)