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CAS 15901-51-6

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Ethyl 3-methyl-4-isothiazolecarboxylate

Description:
Ethyl 3-methyl-4-isothiazolecarboxylate is an organic compound characterized by its isothiazole ring, which contributes to its unique chemical properties. This compound features a carboxylate functional group, making it a derivative of isothiazole, a five-membered heterocyclic structure containing sulfur and nitrogen. Ethyl 3-methyl-4-isothiazolecarboxylate is typically a colorless to pale yellow liquid with a distinctive odor. It is soluble in organic solvents and exhibits moderate stability under standard conditions. The presence of the ethyl group enhances its lipophilicity, which can influence its reactivity and interaction with biological systems. This compound is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and applications in synthesis. Safety data indicates that, like many chemical substances, it should be handled with care, as it may pose health risks if ingested or inhaled. Overall, its unique structure and properties make it a valuable compound for research and industrial applications.
Formula:C7H9NO2S
InChI:InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-8-5(6)2/h4H,3H2,1-2H3
InChI key:InChIKey=JZUYUZCELBUBSC-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C(C)=NSC1
Synonyms:
  • 3-Methylisothiazole-4-carboxylic acid ethyl ester
  • 3-Methylisothiazole-4-carboxylicacid ethyl ester
  • 4-Isothiazolecarboxylic acid, 3-methyl-, ethyl ester
  • Ethyl 3-methyl-4-isothiazolecarboxylate
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