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CAS 568559-40-0

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3-[(Cyclohexylthio)methyl]-2-benzofurancarboxylic acid

Description:
3-[(Cyclohexylthio)methyl]-2-benzofurancarboxylic acid, with the CAS number 568559-40-0, is a chemical compound characterized by its unique structural features, which include a benzofuran moiety and a cyclohexylthio group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential reactivity and solubility characteristics. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions and may form salts or esters. Additionally, the cyclohexylthio group may influence the compound's lipophilicity and biological activity, making it of interest in medicinal chemistry and drug design. The compound's molecular structure may also confer specific stereochemical properties, affecting its interactions with biological targets. Overall, this substance is likely to be studied for its potential applications in pharmaceuticals or as a chemical intermediate, although specific data on its physical properties, such as melting point, boiling point, and solubility, would require further investigation or experimental determination.
Formula:C16H18O3S
InChI:InChI=1S/C16H18O3S/c17-16(18)15-13(10-20-11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,18)
InChI key:InChIKey=QMCFJKXBRHJGKO-UHFFFAOYSA-N
SMILES:C(SC1CCCCC1)C=2C=3C(OC2C(O)=O)=CC=CC3
Synonyms:
  • 3-[(Cyclohexylthio)methyl]-2-benzofurancarboxylic acid
  • 2-Benzofurancarboxylic acid, 3-[(cyclohexylthio)methyl]-
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