Bis(Pyridin-4-Ylmethyl) 2,6-Dimethyl-4-(3-Methyl-5,6-Dihydro-1,4-Dithiin-2-Yl)-1,4-Dihydropyridine-3,5-Dicarboxylate
[CAS# 126444-09-5]

Identification

• Name: Bis(Pyridin-4-Ylmethyl) 2,6-Dimethyl-4-(3-Methyl-5,6-Dihydro-1,4-Dithiin-2-Yl)-1,4-Dihydropyridine-3,5-Dicarboxylate
• Synonyms: Bis(4-Pyridylmethyl) 2,6-Dimethyl-4-(3-Methyl-5,6-Dihydro-1,4-Dithiin-2-Yl)-1,4-Dihydropyridine-3,5-Dicarboxylate; 2,6-Dimethyl-4-(3-Methyl-5,6-Dihydro-1,4-Dithiin-2-Yl)-1,4-Dihydropyridine-3,5-Dicarboxylic Acid Bis(4-Pyridylmethyl) Ester; 2,5-Pyridinedicarboxylic Acid, 4-(5,6-Dihydro-3-Methyl-1,4-Dithiin-2-Yl)-1,4-Dihydro-2,6-Dimethyl-, Bis(4-Pyridinylmethyl) Ester
• Molecular Formula: C₂₆H₂₇N₃O₄S₂
• Molecular Weight: 509.64
• CAS Registry Number: 126444-09-5
• SMILES: C4=C(COC(=O)C1=C(NC(=C(C1C2=C(SCCS2)C)C(OCC3=CC=NC=C3)=O)C)C)C=CN=C4
• InChI: 1S/C26H27N3O4S2/c1-16-21(25(30)32-14-19-4-8-27-9-5-19)23(24-18(3)34-12-13-35-24)22(17(2)29-16)26(31)33-15-20-6-10-28-11-7-20/h4-11,23,29H,12-15H2,1-3H3
• InChIKey: WKCXIRURXIDOND-UHFFFAOYSA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Boiling point: 698.102°C at 760 mmHg (Cal.)
• Flash point: 375.999°C (Cal.)