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CAS 845790-49-0

:

4-(Methylthio)-δ-oxobenzenepentanoic acid

Description:
4-(Methylthio)-δ-oxobenzenepentanoic acid, identified by its CAS number 845790-49-0, is a chemical compound that features a unique structure characterized by a benzenoid ring with a methylthio group and a δ-oxobutanoic acid moiety. This compound typically exhibits properties associated with both aromatic and aliphatic functionalities, which can influence its reactivity and solubility. The presence of the methylthio group may impart specific electronic effects, potentially enhancing nucleophilicity or altering the compound's interaction with biological systems. Additionally, the carboxylic acid functional group suggests that it can participate in acid-base reactions and may exhibit polar characteristics, making it soluble in polar solvents. The compound's structure may also allow for various synthetic modifications, making it of interest in medicinal chemistry and materials science. Overall, its unique combination of functional groups positions it as a versatile compound for further research and application in various chemical contexts.
Formula:C12H14O3S
InChI:InChI=1/C12H14O3S/c1-16-10-7-5-9(6-8-10)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)
InChI key:InChIKey=YXVDDYAHAFDVIY-UHFFFAOYSA-N
SMILES:C(CCCC(O)=O)(=O)C1=CC=C(SC)C=C1
Synonyms:
  • 4-(Methylthio)-δ-oxobenzenepentanoic acid
  • Benzenepentanoic acid, 4-(methylthio)-delta-oxo-
  • Benzenepentanoic acid, 4-(methylthio)-δ-oxo-
  • 5-[4-(Methylsulfanyl)phenyl]-5-oxopentanoic acid
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