CAS 904085-97-8
:4-(5-Isothiazolyl)benzoic acid
Description:
4-(5-Isothiazolyl)benzoic acid, identified by its CAS number 904085-97-8, is an organic compound characterized by the presence of both a benzoic acid moiety and an isothiazole ring. This compound typically exhibits properties such as being a solid at room temperature, with potential applications in various fields, including pharmaceuticals and agrochemicals. The isothiazole ring contributes to its biological activity, often enhancing its reactivity and interaction with biological targets. The carboxylic acid functional group (-COOH) in the benzoic acid part of the molecule imparts acidic characteristics, allowing for potential salt formation and solubility in polar solvents. Additionally, the compound may exhibit antimicrobial or antifungal properties due to the presence of the isothiazole structure, making it of interest in medicinal chemistry. Its synthesis and characterization involve standard organic chemistry techniques, and it is important to handle it with care, considering safety protocols associated with chemical substances.
Formula:C10H7NO2S
InChI:InChI=1S/C10H7NO2S/c12-10(13)8-3-1-7(2-4-8)9-5-6-11-14-9/h1-6H,(H,12,13)
InChI key:InChIKey=VGSYPDUJBVLGGI-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC=C(C=C1)C2=CC=NS2
Synonyms:- 4-ISOTHIAZOL-5-YLBENZOIC ACID
- Benzoic acid, 4-(5-isothiazolyl)-
- 4-(5-Isothiazolyl)benzoic acid
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