CAS 103987-82-2

4-[(4-Oxo-2-thioxo-5-thiazolidinylidene)methyl]benzoic acid

Description:

4-[(4-Oxo-2-thioxo-5-thiazolidinylidene)methyl]benzoic acid, with the CAS number 103987-82-2, is a chemical compound that features a thiazolidine ring, which is a five-membered heterocyclic structure containing sulfur and nitrogen. This compound exhibits both acidic and potentially reactive properties due to the presence of the carboxylic acid functional group (-COOH) and the thiazolidine moiety. The thiazolidine ring contributes to its biological activity, making it of interest in medicinal chemistry. The presence of the 4-oxo group indicates that it may participate in various chemical reactions, such as nucleophilic attacks or condensation reactions. Additionally, the compound's structure suggests potential applications in pharmaceuticals, particularly in the development of drugs targeting specific biological pathways. Its solubility, stability, and reactivity would depend on the specific conditions, such as pH and solvent, making it essential to consider these factors in practical applications. Overall, this compound represents a unique intersection of organic chemistry and potential therapeutic utility.

Formula: C₁₁H₇NO₃S₂

InChI: InChI=1S/C11H7NO3S2/c13-9-8(17-11(16)12-9)5-6-1-3-7(4-2-6)10(14)15/h1-5H,(H,14,15)(H,12,13,16)

InChI key: InChIKey=CEGWYNRNQDQLNJ-UHFFFAOYSA-N

SMILES: C(=C1SC(=S)NC1=O)C2=CC=C(C(O)=O)C=C2

Synonyms:

• 4-[(4-Oxo-2-thioxo-5-thiazolidinylidene)methyl]benzoic acid
• 4-[(E)-(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
• Benzoic acid, 4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-
• NSC 409063
• benzoic acid, 4-[(E)-(2-mercapto-4-oxo-5(4H)-thiazolylidene)methyl]-
• benzoic acid, 4-[(E)-(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-
• p-Toluic acid, α-(4-oxo-2-thioxo-5-thiazolidinylidene)-

4-[(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid

CAS: 103987-82-2

Formula: C₁₁H₇NO₃S₂

Purity: 95.0%

Molecular weight: 265.3

Ref: 10-F307890