CAS 83747-22-2

1,2-Benzisothiazole-2(3H)-pentanoic acid, 3-oxo-, 1,1-dioxide

Description:

1,2-Benzisothiazole-2(3H)-pentanoic acid, 3-oxo-, 1,1-dioxide, with CAS number 83747-22-2, is a chemical compound that features a benzisothiazole core, which is a bicyclic structure containing both a benzene ring and a thiazole ring. This compound is characterized by its functional groups, including a carboxylic acid and a diketone, contributing to its potential reactivity and biological activity. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the isothiazole moiety suggests potential applications in pharmaceuticals or agrochemicals, as compounds with this structure often display antimicrobial or anti-inflammatory properties. Additionally, the compound's unique structure may allow for interactions with biological targets, making it of interest in medicinal chemistry. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or reactivity. Further studies would be necessary to fully elucidate its properties and applications.

Formula: C₁₂H₁₃NO₅S

InChI: InChI=1S/C12H13NO5S/c14-11(15)7-3-4-8-13-12(16)9-5-1-2-6-10(9)19(13,17)18/h1-2,5-6H,3-4,7-8H2,(H,14,15)

InChI key: InChIKey=GPGHRDSNAKAXQP-UHFFFAOYSA-N

SMILES: O=C1C=2C(S(=O)(=O)N1CCCCC(O)=O)=CC=CC2

Synonyms:

• 1,2-Benzisothiazole-2(3H)-pentanoic acid, 3-oxo-, 1,1-dioxide
• 5-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2-yl)-pentanoic acid
• 5-(1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)pentanoic acid