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CAS 83817-53-2

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5-Methyl-3-(2-thienyl)-4-isoxazolecarboxylic acid

Description:
5-Methyl-3-(2-thienyl)-4-isoxazolecarboxylic acid is a chemical compound characterized by its unique structural features, which include a methyl group, a thienyl group, and an isoxazole ring. The presence of the isoxazole moiety contributes to its potential biological activity, as this functional group is often found in various pharmaceuticals and agrochemicals. The thienyl group, derived from thiophene, introduces sulfur into the structure, which can influence the compound's electronic properties and reactivity. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the carboxylic acid functional group. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of compounds with anti-inflammatory or antimicrobial properties. Additionally, the presence of both heteroatoms (nitrogen and sulfur) in the structure may enhance its interaction with biological targets. As with many organic compounds, its stability and reactivity can be influenced by environmental factors such as pH and temperature.
Formula:C9H7NO3S
InChI:InChI=1S/C9H7NO3S/c1-5-7(9(11)12)8(10-13-5)6-3-2-4-14-6/h2-4H,1H3,(H,11,12)
InChI key:InChIKey=QSTCJVAUTDWHRS-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C(=NOC1C)C2=CC=CS2
Synonyms:
  • 4-Isoxazolecarboxylic acid, 5-methyl-3-(2-thienyl)-
  • 5-Methyl-3-(2-thienyl)-4-isoxazolecarboxylic acid
  • 5-Methyl-3-Thiophen-2-Ylisoxazole-4-Carboxylic Acid
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