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CAS 212757-10-3

:

rel-(1R,2S)-2-(2-Thienylcarbonyl)cyclohexanecarboxylic acid

Description:
Rel-(1R,2S)-2-(2-Thienylcarbonyl)cyclohexanecarboxylic acid is a chiral compound characterized by its cyclohexane ring structure, which is substituted with a thienylcarbonyl group and a carboxylic acid functional group. The specific stereochemistry indicated by the (1R,2S) configuration suggests that the compound has distinct spatial arrangements that can influence its reactivity and interactions with biological systems. The presence of the thienyl group introduces a sulfur atom into the structure, which can enhance the compound's lipophilicity and potentially its biological activity. As a carboxylic acid, it exhibits acidic properties, allowing it to participate in various chemical reactions, including esterification and amidation. This compound may be of interest in medicinal chemistry and drug development due to its unique structural features and potential pharmacological properties. Its CAS number, 212757-10-3, allows for easy identification and retrieval of information regarding its synthesis, applications, and safety data in chemical databases.
Formula:C12H14O3S
InChI:InChI=1/C12H14O3S/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h3,6-9H,1-2,4-5H2,(H,14,15)/t8-,9+/s2
InChI key:InChIKey=OHEBPHKWGCMUNK-BRJQIKQINA-N
SMILES:C(=O)([C@@H]1[C@H](C(O)=O)CCCC1)C2=CC=CS2
Synonyms:
  • rel-(1R,2S)-2-(2-Thienylcarbonyl)cyclohexanecarboxylic acid
  • cis-2-(2-Thiophenecarbonyl)-1-cyclohexanecarboxylic acid
  • Cyclohexanecarboxylic acid, 2-(2-thienylcarbonyl)-, (1R,2S)-rel-
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