1-(2,6-Dichlorophenyl)-5-(p-fluorobenzylidene)-3-(4-(morpholino)phenyl)thiobarbituric acid

Base Information

• Chemical Name: 1-(2,6-Dichlorophenyl)-5-(p-fluorobenzylidene)-3-(4-(morpholino)phenyl)thiobarbituric acid
• CAS No.: 121608-40-0
• Molecular Formula: C27H20 Cl2 F N3 O3 S
• Molecular Weight: 556.4354
• Wikidata: Q76389721

Synonyms:1-(2,6-Dichlorophenyl)-5-(p-fluorobenzylidene)-3-(4-(morpholino)phenyl)thiobarbituric acid;4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,6-dichlorophenyl)-5-((4-fluorophenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-thioxo-;121608-40-0;LS-135216

Chemical Property of 1-(2,6-Dichlorophenyl)-5-(p-fluorobenzylidene)-3-(4-(morpholino)phenyl)thiobarbituric acid

Chemical Property:

• Vapor Pressure: 7.92E-19mmHg at 25°C
• Boiling Point: 688.9°Cat760mmHg
• Flash Point: 370.4°C
• Density: 1.54g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 555.0586462
• Heavy Atom Count: 37
• Complexity: 891

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)C(=CC4=CC=C(C=C4)F)C(=O)N(C3=S)C5=C(C=CC=C5Cl)Cl
• Isomeric SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)/C(=C/C4=CC=C(C=C4)F)/C(=O)N(C3=S)C5=C(C=CC=C5Cl)Cl

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