(5E)-5-[(3,4-Dimethoxyphenyl)Methylidene]-1-Phenyl-3-(4-Phenyl-1,3-Thiazol-2-Yl)-2-Sulfanylidene-1,3-Diazinane-4,6-Dione
[CAS# 139356-82-4]

Identification

• Name: (5E)-5-[(3,4-Dimethoxyphenyl)Methylidene]-1-Phenyl-3-(4-Phenyl-1,3-Thiazol-2-Yl)-2-Sulfanylidene-1,3-Diazinane-4,6-Dione
• Synonyms: (5E)-5-[(3,4-Dimethoxyphenyl)Methylene]-1-Phenyl-3-(4-Phenylthiazol-2-Yl)-2-Thioxo-Hexahydropyrimidine-4,6-Dione; (5E)-5-[(3,4-Dimethoxyphenyl)Methylene]-1-Phenyl-3-(4-Phenyl-2-Thiazolyl)-2-Thioxohexahydropyrimidine-4,6-Dione; (5E)-5-(3,4-Dimethoxybenzylidene)-1-Phenyl-3-(4-Phenylthiazol-2-Yl)-2-Thioxo-Hexahydropyrimidine-4,6-Quinone
• Molecular Formula: C₂₈H₂₁N₃O₄S₂
• Molecular Weight: 527.61
• CAS Registry Number: 139356-82-4
• SMILES: C4=C(N=C(N1C(N(C(C(/C1=O)=C\C2=CC=C(C(=C2)OC)OC)=O)C3=CC=CC=C3)=S)S4)C5=CC=CC=C5
• InChI: 1S/C28H21N3O4S2/c1-34-23-14-13-18(16-24(23)35-2)15-21-25(32)30(20-11-7-4-8-12-20)28(36)31(26(21)33)27-29-22(17-37-27)19-9-5-3-6-10-19/h3-17H,1-2H3/b21-15+
• InChIKey: SFTRBXBVUHVPIG-RCCKNPSSSA-N

Properties

• Density: 1.457g/cm³ (Cal.)
• Boiling point: 696.394°C at 760 mmHg (Cal.)
• Flash point: 374.966°C (Cal.)