[5-Ethyl-4-methyl-2-(methylsulfanyl)-6-oxo-1(6H)-pyrimidinyl]acetonitrile
[CAS# 799801-37-9]

Identification

• Name: [5-Ethyl-4-methyl-2-(methylsulfanyl)-6-oxo-1(6H)-pyrimidinyl]acetonitrile
• Synonyms: [5-Ethyl-4-methyl-2-(methylsulfanyl)-6-oxopyrimidin-1(6H)-yl]acetonitrile; 1(6H)-Pyrimidineacetonitrile, 5-ethyl-4-methyl-2-(methylthio)-6-oxo-; 2-(5-ethyl-4-methyl-2-(methylthio)-6-oxopyrimidin-1(6H)-yl)acetonitrile
• Molecular Formula: C₁₀H₁₃N₃OS
• Molecular Weight: 223.29
• CAS Registry Number: 799801-37-9
• SMILES: CCC1=C(N=C(N(C1=O)CC#N)SC)C
• InChI: 1S/C10H13N3OS/c1-4-8-7(2)12-10(15-3)13(6-5-11)9(8)14/h4,6H2,1-3H3
• InChIKey: UJAGBDWMJNIOBH-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 368.9±44.0°C at 760 mmHg (Cal.)
• Flash point: 176.9±28.4°C (Cal.)
• Refractive index: 1.592 (Cal.)