CAS 88009-93-2

5-Amino-3-phenyl-4-isothiazolecarbonitrile

Description:

5-Amino-3-phenyl-4-isothiazolecarbonitrile is a heterocyclic compound characterized by the presence of an isothiazole ring, which incorporates both sulfur and nitrogen atoms. This compound features an amino group (-NH2) and a phenyl group (C6H5) attached to the isothiazole structure, contributing to its potential reactivity and biological activity. The carbonitrile functional group (-C≡N) enhances its chemical properties, making it useful in various synthetic applications. Typically, compounds like this may exhibit properties such as moderate solubility in polar solvents and potential interactions with biological targets, which could be explored for pharmaceutical applications. The presence of multiple functional groups suggests that it may participate in various chemical reactions, including nucleophilic substitutions and cycloadditions. Additionally, the compound's structure may influence its stability, reactivity, and interaction with other molecules, making it of interest in medicinal chemistry and materials science. Overall, 5-Amino-3-phenyl-4-isothiazolecarbonitrile represents a versatile scaffold for further chemical exploration and development.

Formula: C₁₀H₇N₃S

InChI: InChI=1S/C10H7N3S/c11-6-8-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-5H,12H2

InChI key: InChIKey=VIZFEBZHODCCHQ-UHFFFAOYSA-N

SMILES: C(#N)C=1C(=NSC1N)C2=CC=CC=C2

Synonyms:

• 5-Amino-3-phenylisothiazole-4-carbonitrile
• 4-Isothiazolecarbonitrile, 5-amino-3-phenyl-
• 5-Amino-3-phenyl-4-isothiazolecarbonitrile
• 5-Amino-4-cyano-3-phenylisothiazole