CAS 1235441-23-2

2-Chloro-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzothiazole

Description:

2-Chloro-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzothiazole is a chemical compound characterized by its unique structure, which includes a benzothiazole ring fused with a saturated hydrocarbon framework. The presence of a chlorine atom at the 2-position and a tert-butyl group at the 6-position contributes to its distinctive reactivity and physical properties. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific solvent characteristics. Its molecular structure suggests potential applications in pharmaceuticals or agrochemicals, particularly due to the presence of the benzothiazole moiety, which is known for its biological activity. The compound's reactivity can be influenced by the electron-withdrawing nature of the chlorine atom and the steric bulk of the tert-butyl group, which may affect its interactions with other molecules. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₁H₁₆ClNS

InChI: InChI=1S/C11H16ClNS/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h7H,4-6H2,1-3H3

InChI key: InChIKey=SXFBHLVLKQXWSN-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C1CC2=C(CC1)N=C(Cl)S2

Synonyms:

• 2-Chloro-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzothiazole
• Benzothiazole, 2-chloro-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-