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CAS 1401521-94-5

:

2-(3-Methyl-5-isothiazolyl)benzoic acid

Description:
2-(3-Methyl-5-isothiazolyl)benzoic acid, identified by its CAS number 1401521-94-5, is a chemical compound that features a benzoic acid structure substituted with a 3-methyl-5-isothiazole moiety. This compound is characterized by its aromatic nature due to the benzene ring, which contributes to its stability and potential for various chemical reactions. The isothiazole group introduces heteroatoms (nitrogen and sulfur) into the structure, which can enhance its biological activity and solubility in certain solvents. Typically, compounds like this may exhibit antimicrobial or antifungal properties, making them of interest in agricultural and pharmaceutical applications. The presence of the carboxylic acid functional group (-COOH) allows for potential interactions with biological systems, influencing its reactivity and solubility. Overall, the unique combination of aromatic and heterocyclic components in 2-(3-Methyl-5-isothiazolyl)benzoic acid contributes to its distinctive chemical behavior and potential utility in various fields.
Formula:C11H9NO2S
InChI:InChI=1S/C11H9NO2S/c1-7-6-10(15-12-7)8-4-2-3-5-9(8)11(13)14/h2-6H,1H3,(H,13,14)
InChI key:InChIKey=JTIXFJGVTBRJIA-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(C=CC=C1)C=2SN=C(C)C2
Synonyms:
  • 2-(3-Methyl-5-isothiazolyl)benzoic acid
  • Benzoic acid, 2-(3-methyl-5-isothiazolyl)-
  • 2-(3-Methyl-1,2-thiazol-5-yl)benzoic acid
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