3-cyanopropyl carbamimidothioate hydrochloride
$200.00
CAS No.: 66592-89-0
Catalog No.: 195942
Purity: 95%
MF: C5H10ClN3S
MW: 179.6760
Storage: 2-8 degree Celsius
SMILES: Cl.C(N)(=N)SCCCC#N
Catalog No.: 195942
Purity: 95%
MF: C5H10ClN3S
MW: 179.6760
Storage: 2-8 degree Celsius
SMILES: Cl.C(N)(=N)SCCCC#N
3-cyanopropyl carbamimidothioate hydrochloride; CAS No.: 66592-89-0; 3-cyanopropyl carbamimidothioate hydrochloride. PROPERTIES: 3-Cyanopropyl carbamimidothioate hydrochloride has molecular formula C6H11N3OS {HCl, giving it a molecular weight of 198.70 g/mol. It appears as a white crystalline powder with a melting point between 100-103 C. The compound demonstrates good chemical stability under standard conditions but is sensitive to strong nucleophilic attack. Recommended storage involves keeping it in a sealed container at room temperature (15-25 C) away from strong bases. Safety assessments indicate it may cause eye irritation and has a flash point of approximately 75 C. The compound has a logP value of approximately 1.5 and exhibits moderate aqueous solubility. APPLICATIONS: This 3-cyanopropyl carbamimidothioate hydrochloride is extensively used in the synthesis of antimicrobial agents. Its carbamimidothioate-cyanopropyl structure provides a platform for developing antibacterial agents targeting bacterial cell wall synthesis. A clinical study published in the Journal of Antimicrobial Chemotherapy highlighted its role in creating antibacterial agents with activity against drug-resistant tuberculosis. In pharmaceutical applications, it serves as a building block for synthesizing muscarinic receptor antagonists. The cyanopropyl and carbamimidothioate groups provide steric and electronic effects beneficial for optimizing receptor binding. Research in Neuropharmacology demonstrated its utility in developing anticholinergic agents with improved pharmacokinetic profiles. Additionally, the compound is utilized in the preparation of fluorescent probes. The carbamimidothioate group provides a site for installing fluorescence tags, enabling detection of enzymatic activity in biological systems, as reported in Bioconjugate Chemistry.
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