CAS 1001907-72-7

Methyl 3-isothiazolecarboxylate

Description:

Methyl 3-isothiazolecarboxylate is a chemical compound characterized by its isothiazole ring, which contributes to its unique properties and reactivity. It typically appears as a colorless to pale yellow liquid with a distinctive odor. This compound is known for its applications in the field of agrochemicals, particularly as a fungicide and pesticide, due to its ability to inhibit fungal growth. The presence of the isothiazole moiety imparts biological activity, making it a subject of interest in medicinal chemistry as well. Methyl 3-isothiazolecarboxylate is soluble in organic solvents, which enhances its utility in various formulations. Its stability under normal conditions allows for effective storage and handling, although it should be kept away from strong oxidizing agents. Safety data indicates that, like many chemical substances, it should be handled with care, using appropriate personal protective equipment to mitigate any potential health risks. Overall, this compound exemplifies the intersection of organic chemistry and practical applications in agriculture and pharmaceuticals.

Formula: C₅H₅NO₂S

InChI: InChI=1S/C5H5NO2S/c1-8-5(7)4-2-3-9-6-4/h2-3H,1H3

InChI key: InChIKey=SAXXOCCOJQHERN-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=CSN1

Synonyms:

• 3-Isothiazolecarboxylic acid, methyl ester
• Methyl 3-isothiazolecarboxylate