5-[(2,5-Dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Base Information

• Chemical Name: 5-[(2,5-Dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS No.: 139356-80-2
• Molecular Formula: C27H20 Cl2 N4 O2 S2
• Molecular Weight: 567.5093
• DSSTox Substance ID: DTXSID00930454
• Mol file: 139356-80-2.mol

Synonyms:139356-80-2;5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione;4,6(1H,5H)-Pyrimidinedione, dihydro-5-(((2,5-dichlorophenyl)amino)methl)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-;5-[[(2,5-dichlorophenyl)amino]methyl]-1-(2-methylphenyl)-3-(4-phenyl-1 ,3-thiazol-2-yl)-2-sulfanylid;C27H20Cl2N4O2S2;DTXSID00930454;ZJVFCLMBKUVSDO-UHFFFAOYSA-N;C27-H20-Cl2-N4-O2-S2;LS-135212

Chemical Property of 5-[(2,5-Dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Chemical Property:

• Vapor Pressure: 1.1E-20mmHg at 25°C
• Boiling Point: 721.8°Cat760mmHg
• Flash Point: 390.3°C
• PSA: 125.87000
• Density: 1.52g/cm³
• LogP: 7.02130
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 566.0404736
• Heavy Atom Count: 37
• Complexity: 860

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C(=O)C(C(=O)N(C2=S)C3=NC(=CS3)C4=CC=CC=C4)CNC5=C(C=CC(=C5)Cl)Cl