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CAS 1699-03-2

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2-[(Phenylthio)methyl]benzoic acid

Description:
2-[(Phenylthio)methyl]benzoic acid, with the CAS number 1699-03-2, is an organic compound characterized by its benzoic acid structure modified with a phenylthio group. This compound features a carboxylic acid functional group (-COOH) attached to a benzene ring, which is further substituted with a phenylthio group at the 2-position. The presence of the phenylthio moiety contributes to its unique chemical properties, including potential reactivity and solubility characteristics. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The compound can participate in various chemical reactions, such as nucleophilic substitutions and esterifications, due to the reactivity of both the carboxylic acid and the thioether functionalities. Additionally, it may have applications in organic synthesis and medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. As with many organic compounds, safety precautions should be observed when handling this substance, including the use of appropriate personal protective equipment.
Formula:C14H12O2S
InChI:InChI=1S/C14H12O2S/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)
InChI key:InChIKey=QXPRAGVOCILNHG-UHFFFAOYSA-N
SMILES:C(SC1=CC=CC=C1)C2=C(C(O)=O)C=CC=C2
Synonyms:
  • 2-(Phenylthiomethyl)benzoic acid
  • 2-[(Phenylsulfanyl)Methyl]Benzoate
  • 2-[(Phenylsulfanyl)Methyl]Benzoic Acid
  • Benzoic acid, 2-[(phenylthio)methyl]-
  • o-Toluic acid, α-(phenylthio)-
  • α-(Phenylthio)-o-toluic acid
  • 2-((Phenylthio)methyl)benzoic acid
  • 2-[(Phenylthio)methyl]benzoic acid
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