Clodantoin

Base Information

• Chemical Name: Clodantoin
• CAS No.: 5588-20-5
• Molecular Formula: C11H17 Cl3 N2 O2 S
• Molecular Weight: 347.69
• European Community (EC) Number: 226-995-3
• NSC Number: 231427
• UNII: W14Z7581PA
• DSSTox Substance ID: DTXSID40863575
• Nikkaji Number: J8.013F
• Wikipedia: Chlordantoin
• Wikidata: Q5134854
• NCI Thesaurus Code: C75200
• Pharos Ligand ID: X9GUWCNN9PLG
• Metabolomics Workbench ID: 154317
• ChEMBL ID: CHEMBL356479
• Mol file: 5588-20-5.mol

Synonyms:chlordantoin;clodantoin

Chemical Property of Clodantoin

Chemical Property:

• Refractive Index: 1.6000 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 6.46±0.70(Predicted)
• Flash Point: °C
• PSA: 74.71000
• Density: 1.39g/cm³
• LogP: 4.36580
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 346.007632
• Heavy Atom Count: 19
• Complexity: 349

Purity/Quality:

97% ^*data from raw suppliers

Chlordantoin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C1C(=O)N(C(=O)N1)SC(Cl)(Cl)Cl
• Uses: Antifungal. Chlordantoin, is an antifungal drug which can be used to treat vaginal candidiasis.

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