1-(2,6-Dichlorophenyl)-3-(4-morpholinophenyl)-5-(3-phenyl-2-propenylidene)thiobarbituric acid

Base Information

• Chemical Name: 1-(2,6-Dichlorophenyl)-3-(4-morpholinophenyl)-5-(3-phenyl-2-propenylidene)thiobarbituric acid
• CAS No.: 121608-37-5
• Molecular Formula: C29H23 Cl2 N3 O3 S
• Molecular Weight: 564.4822
• Wikidata: Q76389716
• Mol file: 121608-37-5.mol

Synonyms:1-(2,6-Dichlorophenyl)-3-(4-morpholinophenyl)-5-(3-phenyl-2-propenylidene)thiobarbituric acid;121608-37-5;4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,6-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-(3-phenyl)-2-propenylidene)-2-thioxo-

Chemical Property of 1-(2,6-Dichlorophenyl)-3-(4-morpholinophenyl)-5-(3-phenyl-2-propenylidene)thiobarbituric acid

Chemical Property:

• Vapor Pressure: 1.82E-20mmHg at 25°C
• Boiling Point: 718°Cat760mmHg
• Flash Point: 388°C
• Density: 1.47g/cm³
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 563.0837182
• Heavy Atom Count: 38
• Complexity: 929

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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