5-(Butylthiomethyl)-1,5-Dimethyl-2-Sodiooxy-4,6(1H,5H)-Pyrimidinedione
[CAS# 67050-70-8]

Identification

• Name: 5-(Butylthiomethyl)-1,5-Dimethyl-2-Sodiooxy-4,6(1H,5H)-Pyrimidinedione
• Synonyms: Sodium 5-(Butylsulfanylmethyl)-1,5-Dimethyl-4,6-Dioxopyrimidin-2-Olate; Sodium 5-(Butylsulfanylmethyl)-1,5-Dimethyl-Hexahydropyrimidin-3-Ide-2,4,6-Trione; Sodium 5-(Butylsulfanylmethyl)-1,5-Dimethyl-4,6-Dioxo-Pyrimidin-2-Olate
• Molecular Formula: C₁₁H₁₇N₂NaO₃S
• Molecular Weight: 280.32
• CAS Registry Number: 67050-70-8
• SMILES: C(SCCCC)C1(C(=O)N(C(=O)[N-]C1=O)C)C.[Na+]
• InChI: 1S/C11H18N2O3S.Na/c1-4-5-6-17-7-11(2)8(14)12-10(16)13(3)9(11)15;/h4-7H2,1-3H3,(H,12,14,16);/q;+1/p-1
• InChIKey: MNRGBWDSFFYKGI-UHFFFAOYSA-M

Properties

• Boiling point: 387.1°C at 760 mmHg (Cal.)
• Flash point: 187.9°C (Cal.)