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CAS 57352-00-8

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3-Methyl-5-isothiazolecarbonitrile

Description:
3-Methyl-5-isothiazolecarbonitrile is a heterocyclic organic compound characterized by its isothiazole ring structure, which contains both nitrogen and sulfur atoms. This compound features a cyano group (-C≡N) and a methyl group (-CH3) attached to the isothiazole ring, contributing to its unique chemical properties. It is typically a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. The presence of the cyano group imparts notable reactivity, making it useful in various synthetic applications, including the development of agrochemicals and pharmaceuticals. Additionally, 3-Methyl-5-isothiazolecarbonitrile may exhibit biological activity, which can be explored for potential applications in medicinal chemistry. Its solubility in organic solvents and relatively low volatility are also important characteristics that influence its handling and usage in laboratory settings. As with many chemical substances, safety precautions should be observed when working with this compound due to potential toxicity and environmental impact.
Formula:C5H4N2S
InChI:InChI=1S/C5H4N2S/c1-4-2-5(3-6)8-7-4/h2H,1H3
InChI key:InChIKey=RLKZZTIAXGIKFV-UHFFFAOYSA-N
SMILES:C(#N)C1=CC(C)=NS1
Synonyms:
  • 5-Cyano-3-methylisothiazole
  • 3-Methyl-1,2-thiazole-5-carbonitrile
  • 5-Isothiazolecarbonitrile, 3-methyl-
  • 3-Methyl-5-cyanoisothiazole
  • 3-Methyl-5-isothiazolecarbonitrile
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