CAS 808764-18-3

2-(Chloromethyl)-5-(1,1-dimethylethyl)-1,3,4-thiadiazole

Description:

2-(Chloromethyl)-5-(1,1-dimethylethyl)-1,3,4-thiadiazole is a heterocyclic compound characterized by the presence of a thiadiazole ring, which consists of two nitrogen atoms and one sulfur atom within a five-membered ring. This compound features a chloromethyl group (-CH2Cl) at the second position and a tert-butyl group (1,1-dimethylethyl) at the fifth position of the thiadiazole ring, contributing to its unique chemical properties. The presence of the chloromethyl group makes it a potential electrophile, which can participate in nucleophilic substitution reactions. The tert-butyl group enhances the compound's hydrophobic characteristics, influencing its solubility and reactivity. This compound may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. Its molecular structure allows for various synthetic modifications, which can lead to derivatives with tailored properties. As with many chlorinated compounds, appropriate safety measures should be taken during handling due to potential toxicity and environmental concerns.

Formula: C₇H₁₁ClN₂S

InChI: InChI=1S/C7H11ClN2S/c1-7(2,3)6-10-9-5(4-8)11-6/h4H2,1-3H3

InChI key: InChIKey=OWHPHNBZLVPJIN-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C=1SC(CCl)=NN1

Synonyms:

• 2-(Chloromethyl)-5-(1,1-dimethylethyl)-1,3,4-thiadiazole
• 1,3,4-Thiadiazole, 2-(chloromethyl)-5-(1,1-dimethylethyl)-
• 2-tert-Butyl-5-chloromethyl-1,3,4-thiadiazole
• 2-tert-Butyl-5-(chloromethyl)-1,3,4-thiadiazole