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CAS 18626-51-2

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α-[(2,4-Dimethylphenyl)thio]benzeneacetic acid

Description:
α-[(2,4-Dimethylphenyl)thio]benzeneacetic acid, with the CAS number 18626-51-2, is an organic compound characterized by its unique structure that includes a benzeneacetic acid moiety substituted with a thioether group. This compound features a sulfur atom bonded to a 2,4-dimethylphenyl group, which contributes to its distinct chemical properties. Typically, compounds of this nature exhibit moderate solubility in organic solvents and may have limited solubility in water due to their hydrophobic aromatic components. The presence of the thioether group can influence the compound's reactivity, potentially participating in nucleophilic substitution reactions. Additionally, the steric hindrance introduced by the dimethyl groups can affect the compound's overall reactivity and interaction with biological systems. Such compounds may be of interest in medicinal chemistry for their potential biological activities, including anti-inflammatory or analgesic properties, although specific biological data would need to be referenced for detailed insights. Overall, α-[(2,4-Dimethylphenyl)thio]benzeneacetic acid represents a class of compounds with diverse applications in organic synthesis and pharmaceutical development.
Formula:C16H16O2S
InChI:InChI=1S/C16H16O2S/c1-11-8-9-14(12(2)10-11)19-15(16(17)18)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H,17,18)
InChI key:InChIKey=UDDBXTSRNQGANI-UHFFFAOYSA-N
SMILES:C(SC1=C(C)C=C(C)C=C1)(C(O)=O)C2=CC=CC=C2
Synonyms:
  • 2-[(2,4-Dimethylphenyl)sulfanyl]-2-phenylacetic acid
  • α-[(2,4-Dimethylphenyl)thio]benzeneacetic acid
  • Acetic acid, phenyl(2,4-xylylthio)-
  • Phenyl(2,4-xylylthio)acetic acid
  • Benzeneacetic acid, α-[(2,4-dimethylphenyl)thio]-
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