CAS 475112-25-5

4-Isothiazolecarboxylic acid, 2,3-dihydro-5-mercapto-3-oxo-, sodium salt (1:1)

Description:

4-Isothiazolecarboxylic acid, 2,3-dihydro-5-mercapto-3-oxo-, sodium salt (1:1) is a chemical compound characterized by its isothiazole ring structure, which contributes to its unique reactivity and properties. This compound features a carboxylic acid functional group, a thiol group, and a keto group, which enhance its potential for various chemical interactions. As a sodium salt, it is typically more soluble in water compared to its acid form, making it useful in aqueous applications. The presence of the thiol group suggests potential antioxidant properties, while the isothiazole moiety may impart biological activity, making it of interest in pharmaceutical and agricultural chemistry. Its molecular structure allows for various applications, including as a building block in organic synthesis or as a potential agent in crop protection. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or reactivity. Overall, this compound exemplifies the diverse functionalities that can arise from heterocyclic compounds in chemical research and application.

Formula: C₄H₃NO₃S₂·Na

InChI: InChI=1S/C4H3NO3S2.Na/c6-2-1(3(7)8)4(9)10-5-2;/h9H,(H,5,6)(H,7,8);

InChI key: InChIKey=CBJODDNMMAEYKE-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(=O)NSC1S.[Na]

Synonyms:

• 1,2-Thiazole-4-Carboxylic Acid
• 3-Hydroxy-5-mercapto-4-isothiazolecarboxylic acid monosodium salt
• 3-Oxo-5-Sulfanyl-2,3-Dihydroisothiazole-4-Carboxylic Acid
• 4-Isothiazolecarboxylic acid, 2,3-dihydro-5-mercapto-3-oxo-, monosodium salt
• 4-Isothiazolecarboxylic acid, 2,3-dihydro-5-mercapto-3-oxo-, sodium salt (1:1)
• Monosalt