CAS 60750-75-6

4,6-Dimethylisothiazolo[5,4-b]pyridin-3(2H)-one

Description:

4,6-Dimethylisothiazolo[5,4-b]pyridin-3(2H)-one is a heterocyclic compound characterized by its unique bicyclic structure that incorporates both isothiazole and pyridine moieties. This compound features two methyl groups at the 4 and 6 positions of the isothiazole ring, contributing to its chemical stability and influencing its reactivity. It is known for its potential biological activities, which may include antimicrobial and antifungal properties, making it of interest in pharmaceutical research. The presence of the isothiazole ring often imparts specific electronic and steric properties that can affect the compound's interaction with biological targets. Additionally, the compound's solubility and stability can vary depending on the solvent and environmental conditions. Its CAS number, 60750-75-6, allows for easy identification in chemical databases and literature. Overall, 4,6-Dimethylisothiazolo[5,4-b]pyridin-3(2H)-one is a compound of interest in both synthetic chemistry and medicinal applications due to its distinctive structure and potential utility.

Formula: C₈H₈N₂OS

InChI: InChI=1S/C8H8N2OS/c1-4-3-5(2)9-8-6(4)7(11)10-12-8/h3H,1-2H3,(H,10,11)

InChI key: InChIKey=LXCCCCOECARKEZ-UHFFFAOYSA-N

SMILES: CC1=C2C(=NC(C)=C1)SNC2=O

Synonyms:

• 4,6-Dimethyl-isothiazolo[5,4-b]pyridin-3-ol
• 4,6-Dimethylisothiazolo[5,4-b]pyridin-3(2H)-one
• isothiazolo[5,4-b]pyridin-3(2H)-one, 4,6-dimethyl-

Isothiazolo[5,4-b]pyridin-3(2H)-one, 4,6-dimethyl-

CAS: 60750-75-6

Formula: C₈H₈N₂OS

Purity: 98%

Color and Shape: Solid

Molecular weight: 180.2269

Ref: IN-DA00IAQN

4,6-Dimethyl-2h,3h-[1,2]thiazolo[5,4-b]pyridin-3-one

CAS: 60750-75-6

4,6-Dimethyl-2h,3h-[1,2]thiazolo[5,4-b]pyridin-3-one

Purity: 98%

Molecular weight: 180.23g/mol

Ref: 54-OR86419

4,6-Dimethyl-2h,3h-[1,2]thiazolo[5,4-b]pyridin-3-one

CAS: 60750-75-6

Purity: 98%

Molecular weight: 180.2299957

Ref: 10-F675584

4,6-Dimethylisothiazolo[5,4-b]pyridin-3(2H)-one

CAS: 60750-75-6

4,6-Dimethylisothiazolo[5,4-b]pyridin-3(2H)-one is a crystalline compound that belongs to the group of p2 molecules. This molecule has an electron density of 0.071 e/Å and a molecular weight of 172.14 g/mol. The tautomeric form is the most stable, with a geometry of C2v and a density of 1.8 g/cm3. The substituents are phenyl rings and methyl groups that have a molecular structure with the following constants: Torsion angle (χ) = -7°; Diameter (D) = 2.8 Å; Distance (d) = 2.4 Å; Length (l) = 3.9 Å; Angle (θ) = -57°; Distance to plane (a) = 2.0 Å

Formula: C₈H₈N₂OS

Purity: Min. 95%

Molecular weight: 180.23 g/mol

Ref: 3D-KCA75075