CAS 866009-35-0

3-Chloro-5-[(2-cyanoethyl)methylamino]-4-isothiazolecarbonitrile

Description:

3-Chloro-5-[(2-cyanoethyl)methylamino]-4-isothiazolecarbonitrile is a chemical compound characterized by its unique isothiazole structure, which incorporates both a chlorine atom and a cyanoethyl group. This compound features a five-membered ring containing sulfur and nitrogen, contributing to its reactivity and potential biological activity. The presence of the cyano group enhances its polarity and may influence its solubility in various solvents. The methylamino group attached to the cyanoethyl moiety suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Its molecular structure indicates that it may exhibit properties such as antimicrobial or antifungal activity, although specific biological effects would depend on further empirical studies. The compound's CAS number, 866009-35-0, allows for precise identification and retrieval of information in chemical databases. Overall, 3-Chloro-5-[(2-cyanoethyl)methylamino]-4-isothiazolecarbonitrile represents a complex molecule with potential applications in pharmaceuticals and agrochemicals, warranting further investigation into its properties and uses.

Formula: C₈H₇ClN₄S

InChI: InChI=1S/C8H7ClN4S/c1-13(4-2-3-10)8-6(5-11)7(9)12-14-8/h2,4H2,1H3

InChI key: InChIKey=CZASOKUWUIOKLL-UHFFFAOYSA-N

SMILES: N(CCC#N)(C)C1=C(C#N)C(Cl)=NS1

Synonyms:

• 3-Chloro-5-[(2-cyanoethyl)methylamino]-4-isothiazolecarbonitrile
• 4-Isothiazolecarbonitrile, 3-chloro-5-[(2-cyanoethyl)methylamino]-