1,3-Didecyl-5-[(2E)-3-(1,3-Didecyl-4-Hydroxy-6-Oxo-2-Thioxohexahydro-5-Pyrimidinyl)-2-Propen-1-Ylidene]-2-Thioxodihydro-4,6(1H,5H)-Pyrimidinedione
[CAS# 169211-45-4]

Identification

• Name: 1,3-Didecyl-5-[(2E)-3-(1,3-Didecyl-4-Hydroxy-6-Oxo-2-Thioxohexahydro-5-Pyrimidinyl)-2-Propen-1-Ylidene]-2-Thioxodihydro-4,6(1H,5H)-Pyrimidinedione
• Synonyms: "1,3-didecyl-5-[3-(1,3-didecylhexahydro-4,6-dioxo-2-thioxo-5-pyrimidinyl)-2-propenylidene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione"; 1,3-didecyl-5-[3-(1,3-didecylhexahydro-4,6-dioxo-2-thioxo-5-pyrimidinyl)-2-propenylidene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione; DISBAC10
• Molecular Formula: C₅₁H₉₀N₄O₄S₂
• Molecular Weight: 887.41
• CAS Registry Number: 169211-45-4
• SMILES: CCCCCCCCCCN1C(C(C(=O)N(C1=S)CCCCCCCCCC)C=CC=C2C(=O)N(C(=S)N(C2=O)CCCCCCCCCC)CCCCCCCCCC)O
• InChI: 1S/C51H90N4O4S2/c1-5-9-13-17-21-25-29-33-40-52-46(56)44(47(57)53(50(52)60)41-34-30-26-22-18-14-10-6-2)38-37-39-45-48(58)54(42-35-31-27-23-19-15-11-7-3)51(61)55(49(45)59)43-36-32-28-24-20-16-12-8-4/h37-39,44,46,56H,5-36,40-43H2,1-4H3/b38-37+
• InChIKey: XDRMUCPEPWWVLX-HEFFKOSUSA-N

Properties

• Density: 1.072g/cm³ (Cal.)
• Boiling point: 848.938°C at 760 mmHg (Cal.)
• Flash point: 467.221°C (Cal.)
• Refractive index: 1.553 (Cal.)