6-Ethyl-2-[(3-Fluoropropyl)Sulfanyl]-4-Pyrimidinol
[CAS# 478064-58-3]

Identification

• Name: 6-Ethyl-2-[(3-Fluoropropyl)Sulfanyl]-4-Pyrimidinol
• Synonyms: 6-ethyl-2-((3-fluoropropyl)thio)pyrimidin-4(1H)-one; 6-ethyl-2-[(3-fluoropropyl)sulfanyl]-4(3H)-pyrimidinone; MFCD02187337
• Molecular Formula: C₉H₁₃FN₂OS
• Molecular Weight: 216.28
• CAS Registry Number: 478064-58-3
• SMILES: CCC1=CC(=NC(=N1)SCCCF)O
• InChI: 1S/C9H13FN2OS/c1-2-7-6-8(13)12-9(11-7)14-5-3-4-10/h6H,2-5H2,1H3,(H,11,12,13)
• InChIKey: HCPDCAUHOMCFAG-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 102-104°C (Expl.)
• Boiling point: 371.3±32.0°C at 760 mmHg (Cal.)
• Flash point: 178.3±25.1°C (Cal.)
• Refractive index: 1.547 (Cal.)