CAS 863669-59-4

1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid

Description:

1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid, identified by its CAS number 863669-59-4, is a chemical compound characterized by its unique structure that combines a cyclohexane ring with a carboxylic acid functional group and a benzothiazole moiety. This compound typically exhibits properties associated with both aromatic and aliphatic systems, which may influence its solubility, reactivity, and potential applications. The presence of the benzothiazole group suggests potential biological activity, as benzothiazoles are known for their roles in pharmaceuticals and agrochemicals. The carboxylic acid functionality can impart acidic properties, making it useful in various chemical reactions, including esterification and amidation. Additionally, the cyclohexane ring contributes to the compound's three-dimensional structure, which can affect its interaction with biological targets. Overall, this compound may be of interest in medicinal chemistry and materials science due to its structural features and potential reactivity.

Formula: C₁₅H₁₇NO₂S

InChI: InChI=1S/C15H17NO2S/c17-14(18)15(8-4-1-5-9-15)10-13-16-11-6-2-3-7-12(11)19-13/h2-3,6-7H,1,4-5,8-10H2,(H,17,18)

InChI key: InChIKey=VZNVKRYUHBRZPB-UHFFFAOYSA-N

SMILES: C(C1(C(O)=O)CCCCC1)C2=NC=3C(S2)=CC=CC3

Synonyms:

• Cyclohexanecarboxylic acid, 1-(2-benzothiazolylmethyl)-
• 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid