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CAS 1401522-26-6

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

Description:
3-(3-Methyl-5-isothiazolyl)benzoic acid is an organic compound characterized by its unique structure, which includes a benzoic acid moiety and a 3-methyl-5-isothiazole substituent. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, including potential biological activity due to the presence of the isothiazole ring, which is known for its antimicrobial and antifungal properties. The benzoic acid portion contributes to its acidity and potential reactivity in various chemical environments. In terms of solubility, compounds of this nature may show varying degrees of solubility in polar and non-polar solvents, influenced by the functional groups present. Additionally, the presence of the isothiazole ring may impart specific interactions with biological targets, making it of interest in pharmaceutical research. Safety and handling considerations are essential, as with many chemical substances, due to potential toxicity or reactivity. Overall, this compound's unique structural features suggest a range of applications in medicinal chemistry and materials science.
Formula:C11H9NO2S
InChI:InChI=1S/C11H9NO2S/c1-7-5-10(15-12-7)8-3-2-4-9(6-8)11(13)14/h2-6H,1H3,(H,13,14)
InChI key:InChIKey=MBFMJFWECSIPFN-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C=C(C=CC1)C=2SN=C(C)C2
Synonyms:
  • Benzoic acid, 3-(3-methyl-5-isothiazolyl)-
  • 3-(3-Methyl-5-isothiazolyl)benzoic acid
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