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CAS 3996-30-3

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2-[(3-Methylphenyl)thio]acetic acid

Description:
2-[(3-Methylphenyl)thio]acetic acid, with the CAS number 3996-30-3, is an organic compound characterized by the presence of a thioether functional group and a carboxylic acid. This compound features a 3-methylphenyl group attached to a sulfur atom, which is further connected to an acetic acid moiety. The thioether linkage imparts unique chemical properties, including potential reactivity in nucleophilic substitution reactions. The carboxylic acid group contributes to its acidity and solubility in polar solvents. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure allows for various interactions, including hydrogen bonding and hydrophobic interactions, which can influence its behavior in biological systems. Additionally, the presence of the methyl group on the phenyl ring can affect the compound's steric and electronic properties, potentially impacting its reactivity and interactions with other molecules. Overall, 2-[(3-Methylphenyl)thio]acetic acid is a versatile compound with applications in organic synthesis and medicinal chemistry.
Formula:C9H10O2S
InChI:InChI=1S/C9H10O2S/c1-7-3-2-4-8(5-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI key:InChIKey=SIBHZMYQOKCHQY-UHFFFAOYSA-N
SMILES:S(CC(O)=O)C1=CC(C)=CC=C1
Synonyms:
  • 2-(m-Tolylthio)acetic acid
  • 2-[(3-Methylphenyl)sulfanyl]acetic acid
  • 2-[(3-Methylphenyl)thio]acetic acid
  • Acetic Acid, 2-[(3-Methylphenyl)Thio]-
  • Acetic acid, (m-tolylthio)-
  • Acetic acid, [(3-methylphenyl)thio]-
  • NSC 100921
  • [(3-Methylphenyl)thio]acetic acid
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