5-Ethyl-5-Isopentyl-1-Methyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
[CAS# 66968-54-5]

Identification

• Name: 5-Ethyl-5-Isopentyl-1-Methyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
• Synonyms: Sodium 5-Ethyl-1-Methyl-5-(3-Methylbutyl)-2-Sulfanylidenepyrimidin-3-Ide-4,6-Dione; Sodium 5-Ethyl-5-Isopentyl-1-Methyl-6-Oxo-2-Thioxo-Pyrimidin-4-Olate; Sodium 5-Ethyl-5-Isopentyl-1-Methyl-2-Thioxo-Hexahydropyrimidin-3-Ide-4,6-Dione
• Molecular Formula: C₁₂H₁₉N₂NaO₂S
• Molecular Weight: 278.34
• CAS Registry Number: 66968-54-5
• SMILES: C(C1(C(=O)N(C(=S)[N-]C1=O)C)CC)CC(C)C.[Na+]
• InChI: 1S/C12H20N2O2S.Na/c1-5-12(7-6-8(2)3)9(15)13-11(17)14(4)10(12)16;/h8H,5-7H2,1-4H3,(H,13,15,17);/q;+1/p-1
• InChIKey: YYSCWYUFNMHJPI-UHFFFAOYSA-M

Properties

• Boiling point: 350.7°C at 760 mmHg (Cal.)
• Flash point: 165.9°C (Cal.)