(5Z)-1-(2,5-Dichlorophenyl)-3-(4-Morpholin-4-Ylphenyl)-5-[(3-Nitrophenyl)Methylidene]-2-Sulfanylidene-1,3-Diazinane-4,6-Dione
[CAS# 121608-34-2]

Identification

• Name: (5Z)-1-(2,5-Dichlorophenyl)-3-(4-Morpholin-4-Ylphenyl)-5-[(3-Nitrophenyl)Methylidene]-2-Sulfanylidene-1,3-Diazinane-4,6-Dione
• Synonyms: (5Z)-1-(2,5-Dichlorophenyl)-3-(4-Morpholinophenyl)-5-[(3-Nitrophenyl)Methylene]-2-Thioxo-Hexahydropyrimidine-4,6-Dione; (5Z)-1-(2,5-Dichlorophenyl)-3-(4-Morpholinophenyl)-5-[(3-Nitrophenyl)Methylene]-2-Thioxohexahydropyrimidine-4,6-Dione; (5Z)-1-(2,5-Dichlorophenyl)-3-(4-Morpholinophenyl)-5-(3-Nitrobenzylidene)-2-Thioxo-Hexahydropyrimidine-4,6-Quinone
• Molecular Formula: C₂₇H₂₀Cl₂N₄O₅S
• Molecular Weight: 583.44
• CAS Registry Number: 121608-34-2
• SMILES: C5=C(N1C(=S)N(C(=O)C(/C1=O)=C/C2=CC=CC(=C2)[N+]([O-])=O)C4=CC=C(N3CCOCC3)C=C4)C(=CC=C5Cl)Cl
• InChI: 1S/C27H20Cl2N4O5S/c28-18-4-9-23(29)24(16-18)32-26(35)22(15-17-2-1-3-21(14-17)33(36)37)25(34)31(27(32)39)20-7-5-19(6-8-20)30-10-12-38-13-11-30/h1-9,14-16H,10-13H2/b22-15-
• InChIKey: TWNDMJRBEQOBAA-JCMHNJIXSA-N

Properties

• Density: 1.588g/cm³ (Cal.)
• Boiling point: 750.653°C at 760 mmHg (Cal.)
• Flash point: 407.78°C (Cal.)