5-(Butylthiomethyl)-5-Ethyl-2-Sodiooxy-4,6(1H,5H)-Pyrimidinedione
[CAS# 67050-71-9]

Identification

• Name: 5-(Butylthiomethyl)-5-Ethyl-2-Sodiooxy-4,6(1H,5H)-Pyrimidinedione
• Synonyms: Sodium 5-(Butylsulfanylmethyl)-5-Ethyl-1-Methylpyrimidin-3-Ide-2,4,6-Trione; Sodium 5-(Butylsulfanylmethyl)-5-Ethyl-1-Methyl-4,6-Dioxo-Pyrimidin-2-Olate; Sodium 5-(Butylsulfanylmethyl)-5-Ethyl-1-Methyl-Hexahydropyrimidin-3-Ide-2,4,6-Trione
• Molecular Formula: C₁₂H₁₉N₂NaO₃S
• Molecular Weight: 294.34
• CAS Registry Number: 67050-71-9
• SMILES: C(SCCCC)C1(C(=O)N(C(=O)[N-]C1=O)C)CC.[Na+]
• InChI: 1S/C12H20N2O3S.Na/c1-4-6-7-18-8-12(5-2)9(15)13-11(17)14(3)10(12)16;/h4-8H2,1-3H3,(H,13,15,17);/q;+1/p-1
• InChIKey: ROYJLPXMYVYREP-UHFFFAOYSA-M

Properties

• Boiling point: 400.1°C at 760 mmHg (Cal.)
• Flash point: 195.8°C (Cal.)