Denotivir

Base Information

• Chemical Name: Denotivir
• CAS No.: 51287-57-1
• Molecular Formula: C18H14ClN3O2S
• Molecular Weight: 371.84
• UNII: W656S9I00W
• DSSTox Substance ID: DTXSID70199278
• Nikkaji Number: J1.510.289F
• Wikidata: Q11693881
• NCI Thesaurus Code: C77362
• Metabolomics Workbench ID: 144512
• ChEMBL ID: CHEMBL2104203
• Mol file: 51287-57-1.mol

Synonyms:5-(benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide;BACPMI;ITCL;wratizolin

Chemical Property of Denotivir

Chemical Property:

• Vapor Pressure: 2.29E-05mmHg at 25°C
• Refractive Index: 1.716
• Boiling Point: 360 °C at 760 mmHg
• Flash Point: 171.5 °C
• PSA: 99.33000
• Density: 1.44 g/cm³
• LogP: 4.75550
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 371.0495256
• Heavy Atom Count: 25
• Complexity: 479

Purity/Quality:

99% ^*data from raw suppliers

DENOTIVIR 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NSC(=C1C(=O)NC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3