CAS 82000-51-9

5-Methyl-3-(methylsulfonyl)-4-isothiazolecarbonitrile

Description:

5-Methyl-3-(methylsulfonyl)-4-isothiazolecarbonitrile is a heterocyclic compound characterized by its isothiazole ring, which incorporates both sulfur and nitrogen atoms. This compound features a methyl group and a methylsulfonyl group, contributing to its unique chemical properties. The presence of the carbonitrile functional group indicates that it has a cyano group (-C≡N), which can enhance its reactivity and solubility in polar solvents. The isothiazole structure is known for its biological activity, often exhibiting antimicrobial and antifungal properties, making it of interest in pharmaceutical research. Additionally, the methylsulfonyl group can influence the compound's polarity and interaction with biological systems. Overall, 5-Methyl-3-(methylsulfonyl)-4-isothiazolecarbonitrile is a compound of interest in both synthetic chemistry and medicinal applications, with potential uses in agrochemicals and drug development. Its specific characteristics, such as melting point, boiling point, and solubility, would require empirical data for precise evaluation.

Formula: C₆H₆N₂O₂S₂

InChI: InChI=1S/C6H6N2O2S2/c1-4-5(3-7)6(8-11-4)12(2,9)10/h1-2H3

InChI key: InChIKey=YRDGTBDIAKVRAV-UHFFFAOYSA-N

SMILES: S(C)(=O)(=O)C=1C(C#N)=C(C)SN1

Synonyms:

• 5-Methyl-3-(methylsulfonyl)-4-isothiazolecarbonitrile
• 4-Isothiazolecarbonitrile, 5-methyl-3-(methylsulfonyl)-
• 3-Methanesulfonyl-5-methyl-1,2-thiazole-4-carbonitrile