Triclabendazole sulfoxide

Base Information

• Chemical Name: Triclabendazole sulfoxide
• CAS No.: 100648-13-3
• Molecular Formula: C14H9Cl3N2O2S
• Molecular Weight: 375.66
• European Community (EC) Number: 694-764-8
• UNII: KY3O5E011U
• DSSTox Substance ID: DTXSID80905640
• Nikkaji Number: J3.321.278J
• Wikidata: Q27282496
• Mol file: 100648-13-3.mol

Synonyms:6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfinyl)-1H-benzimidazole;TCBZ-SX;triclabendazole sulfoxide

Chemical Property of Triclabendazole sulfoxide

Chemical Property:

• Vapor Pressure: 4.81E-12mmHg at 25°C
• Melting Point: approximate 189℃ (dec.)
• Refractive Index: 1.749
• Boiling Point: 547.6 °C at 760 mmHg
• Flash Point: 285 °C
• PSA: 74.19000
• Density: 1.69 g/cm³
• LogP: 5.91850
• Storage Temp.: Refrigerator
• Solubility.: Acetonitrile (Slightly), Methanol (Slightly)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 373.945032
• Heavy Atom Count: 22
• Complexity: 431

Purity/Quality:

98%Min ^*data from raw suppliers

Triclabendazole sulfoxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)C1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl
• Uses: Triclabendazole Sulfoxide is a metabolite of Triclabendazole (T774175), the only anthelmintic drug, which is active against immature, mature and adult stages of fluke.

Technology Process of Triclabendazole sulfoxide

There total 1 articles about Triclabendazole sulfoxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

triclabendazole (68786-66-3) → Triclabendazole sulfoxide (100648-13-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; a) 10 deg C, 1 h, b) r.t., 12 h;

DOI:10.1039/P19920003129

upstream raw materials:

triclabendazole

Refernces