CAS 80689-36-7

4,6-Dimethyl-2(3H)-benzothiazolethione

Description:

4,6-Dimethyl-2(3H)-benzothiazolethione is an organic compound characterized by its benzothiazole structure, which features a thiazole ring fused to a benzene ring. This compound contains two methyl groups at the 4 and 6 positions of the benzothiazole, contributing to its unique chemical properties. It is typically a yellow to orange crystalline solid, exhibiting moderate solubility in organic solvents. The presence of the thione functional group (–C=S) imparts specific reactivity, making it useful in various chemical applications, including as a potential intermediate in organic synthesis and in the development of pharmaceuticals. Additionally, compounds of this class may exhibit biological activity, such as antimicrobial or antifungal properties, although specific biological data for this compound may vary. Safety data should be consulted, as with any chemical substance, to understand its handling, storage, and potential hazards. Overall, 4,6-Dimethyl-2(3H)-benzothiazolethione is a notable compound in the field of organic chemistry with applications in research and industry.

Formula: C₉H₉NS₂

InChI: InChI=1S/C9H9NS2/c1-5-3-6(2)8-7(4-5)12-9(11)10-8/h3-4H,1-2H3,(H,10,11)

InChI key: InChIKey=OZPDQKUEDLFNCO-UHFFFAOYSA-N

SMILES: CC1=C2C(SC(=S)N2)=CC(C)=C1

Synonyms:

• 4,6-Dimethyl-2(3H)-benzothiazolethione
• 2(3H)-Benzothiazolethione, 4,6-dimethyl-