CAS 852389-08-3

1-(2-Benzothiazolylmethyl)cyclohexaneacetic acid

Description:

1-(2-Benzothiazolylmethyl)cyclohexaneacetic acid is a chemical compound characterized by its unique structure, which includes a cyclohexane ring and a benzothiazole moiety. This compound typically exhibits properties such as moderate solubility in organic solvents and limited solubility in water, which is common for many organic acids. The presence of the benzothiazole group may impart biological activity, potentially influencing its interactions with biological systems. The cyclohexaneacetic acid portion suggests that it may exhibit acidic properties, allowing it to participate in various chemical reactions, including esterification and amidation. Additionally, the compound may demonstrate specific reactivity due to the functional groups present, making it of interest in medicinal chemistry and material science. Its potential applications could range from pharmaceuticals to agrochemicals, depending on its biological activity and chemical reactivity. As with many organic compounds, safety and handling precautions should be observed, given the potential for toxicity or reactivity.

Formula: C₁₆H₁₉NO₂S

InChI: InChI=1S/C16H19NO2S/c18-15(19)11-16(8-4-1-5-9-16)10-14-17-12-6-2-3-7-13(12)20-14/h2-3,6-7H,1,4-5,8-11H2,(H,18,19)

InChI key: InChIKey=NEKZQVUKABHVDH-UHFFFAOYSA-N

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

Synonyms:

• Cyclohexaneacetic acid, 1-(2-benzothiazolylmethyl)-
• 1-(2-Benzothiazolylmethyl)cyclohexaneacetic acid