CAS 1188031-79-9

2-(Chloromethyl)-4,7-dimethylbenzothiazole

Description:

2-(Chloromethyl)-4,7-dimethylbenzothiazole is an organic compound characterized by its benzothiazole structure, which consists of a benzene ring fused to a thiazole ring. This compound features a chloromethyl group (-CH2Cl) at the 2-position and two methyl groups (-CH3) at the 4 and 7 positions of the benzothiazole framework. The presence of the chloromethyl group makes it a potential electrophile, which can participate in various chemical reactions, including nucleophilic substitution. The methyl groups contribute to the compound's hydrophobic character and influence its solubility in organic solvents. This compound may exhibit biological activity, making it of interest in medicinal chemistry and materials science. Additionally, its unique structure may impart specific optical or electronic properties, which could be relevant in applications such as dyes or sensors. Safety and handling precautions should be observed due to the presence of chlorine, which can pose health risks. Overall, 2-(Chloromethyl)-4,7-dimethylbenzothiazole is a versatile compound with potential applications in various fields.

Formula: C₁₀H₁₀ClNS

InChI: InChI=1S/C10H10ClNS/c1-6-3-4-7(2)10-9(6)12-8(5-11)13-10/h3-4H,5H2,1-2H3

InChI key: InChIKey=HSSUAOWAGAWBJG-UHFFFAOYSA-N

SMILES: CC1=C2C(SC(CCl)=N2)=C(C)C=C1

Synonyms:

• 2-(Chloromethyl)-4,7-dimethylbenzothiazole
• Benzothiazole, 2-(chloromethyl)-4,7-dimethyl-