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CAS 955-53-3

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2-[(4-Methylphenyl)thio]-3-pyridinecarboxylic acid

Description:
2-[(4-Methylphenyl)thio]-3-pyridinecarboxylic acid, with the CAS number 955-53-3, is an organic compound characterized by its pyridine and thiophenyl functional groups. This compound features a pyridine ring substituted with a carboxylic acid group and a thioether linkage to a para-methylphenyl group. Its molecular structure contributes to its potential as a ligand in coordination chemistry and as an intermediate in organic synthesis. The presence of the carboxylic acid group imparts acidic properties, while the methyl group on the phenyl ring can influence its solubility and reactivity. This compound may exhibit biological activity, making it of interest in medicinal chemistry. Additionally, its unique structural features can lead to specific interactions in various chemical environments, which can be explored in applications such as pharmaceuticals or agrochemicals. Overall, 2-[(4-Methylphenyl)thio]-3-pyridinecarboxylic acid is a versatile compound with potential applications in various fields of chemistry.
Formula:C13H11NO2S
InChI:InChI=1S/C13H11NO2S/c1-9-4-6-10(7-5-9)17-12-11(13(15)16)3-2-8-14-12/h2-8H,1H3,(H,15,16)
InChI key:InChIKey=VEZNUKVMXCLWMM-UHFFFAOYSA-N
SMILES:S(C1=C(C(O)=O)C=CC=N1)C2=CC=C(C)C=C2
Synonyms:
  • 3-Pyridinecarboxylic acid, 2-[(4-methylphenyl)thio]-
  • Nicotinic acid, 2-(p-tolylthio)-
  • 2-(4-Methylphenylthio)pyridine-3-carboxylic acid
  • 2-[(4-Methylphenyl)thio]nicotinic acid
  • 2-[(4-Methylphenyl)thio]-3-pyridinecarboxylic acid
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