Description

Thieno[3,2-d]isothiazole-5-carboxylic acid (CAS No. 74598-12-2) is a high-purity heterocyclic carboxylic acid with the molecular formula C₆H₃NO₂S₂. This specialized compound features a fused thieno-isothiazole ring system, making it a valuable building block for pharmaceutical, agrochemical, and materials science research. Its IUPAC name, thieno[3,2-d][1,2]thiazole-5-carboxylic acid, reflects its precise structural configuration. With a molecular weight of 185.23 g/mol, this compound is supplied as a fine powder with ≥95% purity (HPLC), ensuring consistency for synthetic applications. Its unique structure enables diverse functionalization at the carboxylic acid group and the heterocyclic core, facilitating the development of novel bioactive molecules or functional materials. Store in a cool, dry place under inert atmosphere for optimal stability.

Properties

• CAS Number: 74598-12-2
• Complexity: 187
• IUPAC Name: thieno[3,2-d]isothiazole-5-carboxylic acid
• InChI: InChI=1S/C6H3NO2S2/c8-5(9)4-1-3-2-7-11-6(3)10-4/h1-2H,(H,8,9)
• InChI Key: MUQRVGJQBPBUQQ-UHFFFAOYSA-N
• Exact Mass: 184.96052069
• Molecular Formula: C6H3NO2S2
• Molecular Weight: 185.2
• SMILES: C1=C(SC2=C1C=NS2)C(=O)O
• Topological: 107
• Monoisotopic Mass: 184.96052069
• Synonyms: thieno[3,2-d]isothiazole-5-carboxylic acid, 74598-12-2, C6H3NO2S2, DB-234051, D86311, thieno[3,2-d][1,2]thiazole-5-carboxylic acid

Application

Thieno[3,2-d]isothiazole-5-carboxylic acid serves as a key intermediate in medicinal chemistry for designing kinase inhibitors and antimicrobial agents due to its privileged heterocyclic scaffold. Researchers utilize it in peptide mimetics development by coupling the carboxyl group with amino acid derivatives. The compound’s electron-rich fused ring system also makes it attractive for organic electronic material synthesis, including conductive polymers and OLED precursors. In agrochemical research, it functions as a core structure for novel pesticidal compounds.

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