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CAS 83747-21-1

:

3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)propanoic acid

Description:
3-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)propanoic acid, identified by its CAS number 83747-21-1, is a chemical compound that features a benzothiazole moiety, which is characterized by a fused benzene and thiazole ring. This compound contains a propanoic acid functional group, contributing to its acidic properties. The presence of the dioxido and keto groups indicates potential reactivity and the ability to participate in various chemical reactions, such as nucleophilic attacks or coordination with metal ions. The benzothiazole structure is known for its biological activity, often exhibiting antimicrobial, antifungal, or anticancer properties. Additionally, the compound's solubility and stability can be influenced by the functional groups attached to the benzothiazole ring and the propanoic acid chain. Overall, this compound may have applications in pharmaceuticals or agrochemicals, but specific characteristics such as melting point, boiling point, and solubility would require empirical data for precise evaluation.
Formula:C10H9NO5S
InChI:InChI=1/C10H9NO5S/c12-9(13)5-6-11-10(14)7-3-1-2-4-8(7)17(11,15)16/h1-4H,5-6H2,(H,12,13)
SMILES:c1ccc2c(c1)C(=O)N(CCC(=O)O)S2(=O)=O
Synonyms:
  • 1,2-Benzisothiazole-2(3H)-propanoic acid, 3-oxo-, 1,1-dioxide
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