CAS 1190198-32-3

2-Methyl-5-(trifluoromethyl)-6-benzothiazolecarbonitrile

Description:

2-Methyl-5-(trifluoromethyl)-6-benzothiazolecarbonitrile is a chemical compound characterized by its unique structure, which includes a benzothiazole ring, a methyl group, and a trifluoromethyl group. This compound typically exhibits properties associated with heterocyclic compounds, including potential biological activity and applications in pharmaceuticals or agrochemicals. The presence of the trifluoromethyl group often enhances lipophilicity and metabolic stability, making it an attractive candidate for drug development. Additionally, the nitrile functional group contributes to its reactivity and can participate in various chemical reactions, such as nucleophilic additions. The compound's molecular structure suggests it may possess interesting electronic properties, which could be exploited in materials science or as a building block in organic synthesis. Safety and handling considerations are essential, as compounds containing fluorinated groups can exhibit unique toxicity profiles. Overall, 2-Methyl-5-(trifluoromethyl)-6-benzothiazolecarbonitrile represents a versatile compound with potential applications across multiple fields of chemistry.

Formula: C₁₀H₅F₃N₂S

InChI: InChI=1S/C10H5F3N2S/c1-5-15-8-3-7(10(11,12)13)6(4-14)2-9(8)16-5/h2-3H,1H3

InChI key: InChIKey=BLGPATUPJQLKNQ-UHFFFAOYSA-N

SMILES: C(#N)C=1C=C2C(=CC1C(F)(F)F)N=C(C)S2

Synonyms:

• 2-Methyl-5-(trifluoromethyl)-6-benzothiazolecarbonitrile
• 6-Benzothiazolecarbonitrile, 2-methyl-5-(trifluoromethyl)-