Description

4,5-Dihydro-5,5-dimethyl-3-isoxazolyl carbamimidothioate hydrochloride (CAS No. 869002-97-1) is a high-purity chemical compound with the molecular formula C₆H₁₂ClN₃OS. This specialized reagent is designed for research applications, offering exceptional quality and consistency for synthetic and analytical processes. The compound features a unique isoxazolyl carbamimidothioate structure, making it valuable for heterocyclic chemistry studies, pharmaceutical intermediates, and agrochemical research. Each batch undergoes rigorous analytical testing (including HPLC, NMR, and mass spectrometry) to ensure ≥95% purity, meeting the stringent demands of scientific investigations. The hydrochloride salt form enhances stability and solubility for experimental use. Suitable for laboratory and industrial-scale applications, this product is supplied in secure, light-resistant packaging with detailed technical documentation.

Properties

• CAS Number: 869002-97-1
• Complexity: 212
• IUPAC Name: 2-(5,5-dimethyl-4H-isoxazol-3-yl)isothiourea;hydrochloride
• InChI: InChI=1S/C6H11N3OS.ClH/c1-6(2)3-4(9-10-6)11-5(7)8;/h3H2,1-2H3,(H3,7,8);1H
• InChI Key: PQOSROXADSFTRB-UHFFFAOYSA-N
• Exact Mass: 209.0389609
• Molecular Formula: C6H12ClN3OS
• Molecular Weight: 209.70
• SMILES: CC1(CC(=NO1)SC(=N)N)C.Cl
• Topological: 96.8
• Monoisotopic Mass: 209.0389609
• Synonyms: 4,5-dihydro-5,5-dimethyl-3-isoxazolyl carbamimidothioate hydrochloride, 869002-97-1, SCHEMBL1412526, PQOSROXADSFTRB-UHFFFAOYSA-N, 5,5-Dimethyl-4,5-dihydroisoxazol-3-yl carbamimidothioate hydrochloride

Application

This compound serves as a versatile intermediate in the synthesis of heterocyclic compounds, particularly in the development of novel pharmacologically active molecules. Researchers utilize it in medicinal chemistry for the exploration of isoxazole-based drug candidates targeting various therapeutic areas. Its reactive functional groups enable further derivatization for structure-activity relationship studies. The hydrochloride salt form facilitates handling in aqueous reaction systems while maintaining stability during storage.

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