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

Base Information

• Chemical Name: 1-(2,5-Dichlorophenyl)-5-(p-methoxybenzylidene)-3-(4-(morpholino)phenyl)thiobarbituric acid
• CAS No.: 121608-31-9
• Molecular Formula: C28H23 Cl2 N3 O4 S
• Molecular Weight: 568.4709
• Wikidata: Q76389707
• Mol file: 121608-31-9.mol

Synonyms:1-(2,5-Dichlorophenyl)-5-(p-methoxybenzylidene)-3-(4-(morpholino)phenyl)thiobarbituric acid;4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,5-dichlorophenyl)-5-((4-methoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-thioxo-;121608-31-9;LS-135223

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

Chemical Property:

• Vapor Pressure: 2.69E-21mmHg at 25°C
• Boiling Point: 732.2°Cat760mmHg
• Flash Point: 396.6°C
• Density: 1.5g/cm³
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 567.0786328
• Heavy Atom Count: 38
• Complexity: 914

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=C(C=CC(=C3)Cl)Cl)C4=CC=C(C=C4)N5CCOCC5
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N(C2=O)C3=C(C=CC(=C3)Cl)Cl)C4=CC=C(C=C4)N5CCOCC5