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CAS 825-99-0

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3-(Methylthio)benzoic acid

Description:
3-(Methylthio)benzoic acid, with the CAS number 825-99-0, is an aromatic carboxylic acid characterized by the presence of a methylthio group (-S-CH3) attached to the benzene ring at the meta position relative to the carboxylic acid (-COOH) functional group. This compound typically appears as a white to off-white crystalline solid and is soluble in organic solvents, while its solubility in water is limited due to the hydrophobic nature of the aromatic ring and the methylthio group. The presence of the methylthio substituent can influence the compound's reactivity and properties, such as its acidity and potential for forming hydrogen bonds. 3-(Methylthio)benzoic acid is often used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals. Its unique structure allows for various chemical modifications, making it a valuable compound in research and industrial applications. Safety data should be consulted for handling and usage, as with all chemical substances.
Formula:C8H8O2S
InChI:InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI key:InChIKey=PZGADOOBMVLBJE-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC(SC)=CC=C1
Synonyms:
  • 3-(Methylsulfanyl)Benzoic Acid
  • 3-Mercaptobenzoic acid S-methyl ether
  • 3-Methanesulfanylbenzoic acid
  • 3-Methylsulfanylbenzoic acid
  • Benzoic acid, 3-(methylthio)-
  • Benzoic acid, m-(methylthio)-
  • Benzoic acid, m-methylmercapto-
  • NSC 2937
  • m-Methylthiobenzoic acid
  • 3-(Methylthio)benzoic acid
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