CAS 89139-49-1

α-Methyl-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid

Description:

α-Methyl-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid, with the CAS number 89139-49-1, is a chemical compound characterized by its unique structure that includes a benzisothiazole moiety and an acetic acid functional group. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar organic solvents. It may display biological activity, making it of interest in pharmaceutical research, particularly in the development of new therapeutic agents. The presence of the α-methyl group and the keto and carboxylic acid functionalities can influence its reactivity and interaction with biological targets. Additionally, the compound may participate in various chemical reactions, including condensation and substitution reactions, due to the functional groups present. Its specific applications and behavior in biological systems would depend on further studies, including its pharmacokinetics and mechanism of action. Overall, α-Methyl-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid represents a compound with potential utility in medicinal chemistry and related fields.

Formula: C₁₀H₉NO₃S

InChI: InChI=1S/C10H9NO3S/c1-6(10(13)14)11-9(12)7-4-2-3-5-8(7)15-11/h2-6H,1H3,(H,13,14)

InChI key: InChIKey=OMDISURAFHPIHS-UHFFFAOYSA-N

SMILES: O=C1C=2C(SN1C(C(O)=O)C)=CC=CC2

Synonyms:

• 1,2-Benzisothiazole-2(3H)-acetic acid, α-methyl-3-oxo-
• α-Methyl-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid
• 2-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanoic acid