5-Benzyl-5-Ethyl-1-Methyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
[CAS# 66941-98-8]

Identification

• Name: 5-Benzyl-5-Ethyl-1-Methyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
• Synonyms: Sodium 5-Ethyl-1-Methyl-4,6-Dioxo-5-(Phenylmethyl)Pyrimidine-2-Thiolate; Sodium 5-Ethyl-1-Methyl-6-Oxo-5-(Phenylmethyl)-2-Thioxo-Pyrimidin-4-Olate; Sodium 5-Ethyl-1-Methyl-6-Oxo-5-(Phenylmethyl)-2-Thioxo-4-Pyrimidinolate
• Molecular Formula: C₁₄H₁₅N₂NaO₂S
• Molecular Weight: 298.33
• CAS Registry Number: 66941-98-8
• SMILES: C2=C(CC1(C(=O)N(C(=S)[N-]C1=O)C)CC)C=CC=C2.[Na+]
• InChI: 1S/C14H16N2O2S.Na/c1-3-14(9-10-7-5-4-6-8-10)11(17)15-13(19)16(2)12(14)18;/h4-8H,3,9H2,1-2H3,(H,15,17,19);/q;+1/p-1
• InChIKey: NLDLPQKZHVYDOF-UHFFFAOYSA-M

Properties

• Boiling point: 408.8°C at 760 mmHg (Cal.)
• Flash point: 201°C (Cal.)