5,5-Diethyl-1,3-Bis(Methylsulfanylmethyl)-1,3-Diazinane-2,4,6-Trione
[CAS# 100849-45-4]

Identification

• Name: 5,5-Diethyl-1,3-Bis(Methylsulfanylmethyl)-1,3-Diazinane-2,4,6-Trione
• Synonyms: 5,5-Diethyl-1,3-Bis(Methylsulfanylmethyl)Hexahydropyrimidine-2,4,6-Trione; 5,5-Diethyl-1,3-Bis[(Methylthio)Methyl]Hexahydropyrimidine-2,4,6-Trione; 5,5-Diethyl-1,3-Bis[(Methylthio)Methyl]Barbituric Acid
• Molecular Formula: C₁₂H₂₀N₂O₃S₂
• Molecular Weight: 304.42
• CAS Registry Number: 100849-45-4
• SMILES: C(N1C(N(C(C(C1=O)(CC)CC)=O)CSC)=O)SC
• InChI: 1S/C12H20N2O3S2/c1-5-12(6-2)9(15)13(7-18-3)11(17)14(8-19-4)10(12)16/h5-8H2,1-4H3
• InChIKey: CXYSTQJHUVPTAU-UHFFFAOYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 391.494°C at 760 mmHg (Cal.)
• Flash point: 190.569°C (Cal.)