CAS 1190198-30-1

6-Cyano-5-(trifluoromethyl)-2-benzothiazoleacetonitrile

Description:

6-Cyano-5-(trifluoromethyl)-2-benzothiazoleacetonitrile is a chemical compound characterized by its unique structural features, which include a benzothiazole ring fused with a cyano group and a trifluoromethyl substituent. This compound typically exhibits properties associated with heterocyclic compounds, such as potential biological activity and reactivity due to the presence of the cyano and trifluoromethyl groups. The trifluoromethyl group often enhances lipophilicity and can influence the compound's interaction with biological targets. Additionally, the presence of the benzothiazole moiety may contribute to its potential as a pharmaceutical intermediate or agrochemical. The compound is likely to be a solid at room temperature and may have moderate solubility in organic solvents. Its reactivity can be attributed to the electron-withdrawing nature of the cyano and trifluoromethyl groups, making it a candidate for various chemical transformations. Safety data and handling precautions should be considered, as with any chemical substance, particularly those with potential toxicity or environmental impact.

Formula: C₁₁H₄F₃N₃S

InChI: InChI=1S/C11H4F3N3S/c12-11(13,14)7-4-8-9(3-6(7)5-16)18-10(17-8)1-2-15/h3-4H,1H2

InChI key: InChIKey=HSNGORAZRBIXAL-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C=C2C(=CC1C#N)SC(CC#N)=N2

Synonyms:

• 6-Cyano-5-(trifluoromethyl)-2-benzothiazoleacetonitrile
• 2-Benzothiazoleacetonitrile, 6-cyano-5-(trifluoromethyl)-