(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile
[CAS# 686333-94-8]

Identification

• Name: (6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile
• Synonyms: 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile; ZINC01945033
• Molecular Formula: C₁₀H₉N₃OS
• Molecular Weight: 219.26
• CAS Registry Number: 686333-94-8
• SMILES: O=C1c2cc(sc2/N=C\N1CC#N)CC
• InChI: 1S/C10H9N3OS/c1-2-7-5-8-9(15-7)12-6-13(4-3-11)10(8)14/h5-6H,2,4H2,1H3
• InChIKey: RSTJBARYNSFZDN-UHFFFAOYSA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 433.89°C at 760 mmHg (Cal.)
• Flash point: 216.209°C (Cal.)
• Refractive index: 1.688 (Cal.)