(5E)-5-[(4-Chlorophenyl)Methylidene]-1-(3-Methoxyphenyl)-2-Sulfanylidene-3-(2,4,6-Trimethylphenyl)-1,3-Diazinane-4,6-Dione
[CAS# 79838-91-8]

Identification

• Name: (5E)-5-[(4-Chlorophenyl)Methylidene]-1-(3-Methoxyphenyl)-2-Sulfanylidene-3-(2,4,6-Trimethylphenyl)-1,3-Diazinane-4,6-Dione
• Synonyms: (5E)-5-[(4-Chlorophenyl)Methylene]-1-(3-Methoxyphenyl)-2-Thioxo-3-(2,4,6-Trimethylphenyl)Hexahydropyrimidine-4,6-Dione; (5E)-5-(4-Chlorobenzylidene)-1-(3-Methoxyphenyl)-2-Thioxo-3-(2,4,6-Trimethylphenyl)Hexahydropyrimidine-4,6-Quinone; 4,6(1H,5H)-Pyrimidinedione, Dihydro-5-((4-Chlorophenyl)Methylene)-1-(3-Methoxyphenyl)-2-Thioxo-3-(2,4,6-Trimethylphenyl)-
• Molecular Formula: C₂₇H₂₃ClN₂O₃S
• Molecular Weight: 491.00
• CAS Registry Number: 79838-91-8
• SMILES: C1=C(OC)C=CC=C1N2C(=S)N(C(=O)\C(C2=O)=C\C3=CC=C(Cl)C=C3)C4=C(C=C(C=C4C)C)C
• InChI: 1S/C27H23ClN2O3S/c1-16-12-17(2)24(18(3)13-16)30-26(32)23(14-19-8-10-20(28)11-9-19)25(31)29(27(30)34)21-6-5-7-22(15-21)33-4/h5-15H,1-4H3/b23-14+
• InChIKey: LPLTXSYKBXGIOF-OEAKJJBVSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 635.516°C at 760 mmHg (Cal.)
• Flash point: 338.148°C (Cal.)