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CAS 13421-01-7

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5-Chloro-2-(phenylthio)benzoic acid

Description:
5-Chloro-2-(phenylthio)benzoic acid is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a chlorine atom and a phenylthio group. The presence of the chlorine atom at the 5-position of the benzoic acid ring contributes to its reactivity and potential applications in various chemical reactions, such as electrophilic substitution. The phenylthio group enhances the compound's lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its chemical properties, including acidity and reactivity, are influenced by the functional groups present, allowing it to participate in various synthetic pathways. Additionally, the compound may have applications in the development of pharmaceuticals or agrochemicals, owing to its structural features that can interact with biological targets. Safety data should be consulted for handling and usage, as with any chemical substance.
Formula:C13H9ClO2S
InChI:InChI=1S/C13H9ClO2S/c14-9-6-7-12(11(8-9)13(15)16)17-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChI key:InChIKey=AWTIBEQBLHXDAR-UHFFFAOYSA-N
SMILES:S(C1=C(C(O)=O)C=C(Cl)C=C1)C2=CC=CC=C2
Synonyms:
  • 5-Chloro-2-(phenylthio)benzoic acid
  • Benzoic acid, 5-chloro-2-(phenylthio)-
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