(5E)-1-(4-Fluorophenyl)-5-[(3-Nitrophenyl)Methylidene]-2-Sulfanylidene-3-(2,4,6-Trimethylphenyl)-1,3-Diazinane-4,6-Dione
[CAS# 79838-97-4]

Identification

• Name: (5E)-1-(4-Fluorophenyl)-5-[(3-Nitrophenyl)Methylidene]-2-Sulfanylidene-3-(2,4,6-Trimethylphenyl)-1,3-Diazinane-4,6-Dione
• Synonyms: (5E)-1-(4-Fluorophenyl)-5-[(3-Nitrophenyl)Methylene]-2-Thioxo-3-(2,4,6-Trimethylphenyl)Hexahydropyrimidine-4,6-Dione; (5E)-1-(4-Fluorophenyl)-5-(3-Nitrobenzylidene)-2-Thioxo-3-(2,4,6-Trimethylphenyl)Hexahydropyrimidine-4,6-Quinone; 4,6(1H,5H)-Pyrimidinedione, Dihydro-1-(4-Fluorophenyl)-5-((3-Nitrophenyl)Methylene)-2-Thioxo-3-(2,4,6-Trimethylphenyl)-
• Molecular Formula: C₂₆H₂₀FN₃O₄S
• Molecular Weight: 489.52
• CAS Registry Number: 79838-97-4
• SMILES: C1=C(C=C(C(=C1C)N2C(=S)N(C(=O)C(/C2=O)=C\C3=CC=CC(=C3)[N+]([O-])=O)C4=CC=C(F)C=C4)C)C
• InChI: 1S/C26H20FN3O4S/c1-15-11-16(2)23(17(3)12-15)29-25(32)22(14-18-5-4-6-21(13-18)30(33)34)24(31)28(26(29)35)20-9-7-19(27)8-10-20/h4-14H,1-3H3/b22-14+
• InChIKey: IDVKLWSERRRIMJ-HYARGMPZSA-N

Properties

• Density: 1.44g/cm³ (Cal.)
• Boiling point: 635.797°C at 760 mmHg (Cal.)
• Flash point: 338.318°C (Cal.)