3-Allyl-2-Thioxo-2,3-Dihydrothieno[3,2-d]Pyrimidin-4(1H)-One
[CAS# 120079-81-4]

Identification

• Name: 3-Allyl-2-Thioxo-2,3-Dihydrothieno[3,2-d]Pyrimidin-4(1H)-One
• Synonyms: 3-Allyl-2-thioxo-2,3-dihydro-1H-thieno[3,2-d]pyrimidin-4-one; 3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[3,2-d]pyrimidin-4-one
• Molecular Formula: C₉H₈N₂OS₂
• Molecular Weight: 224.30
• CAS Registry Number: 120079-81-4
• SMILES: O=C2c1sccc1NC(=S)N2C\C=C
• InChI: 1S/C9H8N2OS2/c1-2-4-11-8(12)7-6(3-5-14-7)10-9(11)13/h2-3,5H,1,4H2,(H,10,13)
• InChIKey: IGFHWSNDYCOUBD-UHFFFAOYSA-N

Properties

• Density: 1.447g/cm³ (Cal.)
• Boiling point: 362.578°C at 760 mmHg (Cal.)
• Flash point: 173.081°C (Cal.)
• Refractive index: 1.709 (Cal.)