3-(4-Ethoxy-Phenyl)-2-Mercapto-5,6,7,8-Tetrahydro-3H-Benzo[4,5]Thieno[2,3-d]Pyrimidin-4-One
[CAS# 65234-03-9]

Identification

• Name: 3-(4-Ethoxy-Phenyl)-2-Mercapto-5,6,7,8-Tetrahydro-3H-Benzo[4,5]Thieno[2,3-d]Pyrimidin-4-One
• Synonyms: 3-(4-Ethoxyphenyl)-2-Thioxo-5,6,7,8-Tetrahydro-1H-Benzothiopheno[3,2-E]Pyrimidin-4-One; Zinc03245241
• Molecular Formula: C₁₈H₁₈N₂O₂S₂
• Molecular Weight: 358.47
• CAS Registry Number: 65234-03-9
• SMILES: C1=CC(=CC=C1OCC)N4C(=O)C2=C(SC3=C2CCCC3)NC4=S
• InChI: 1S/C18H18N2O2S2/c1-2-22-12-9-7-11(8-10-12)20-17(21)15-13-5-3-4-6-14(13)24-16(15)19-18(20)23/h7-10H,2-6H2,1H3,(H,19,23)
• InChIKey: TVVBAUVSQIVFLE-UHFFFAOYSA-N

Properties

• Density: 1.411g/cm³ (Cal.)
• Boiling point: 566.049°C at 760 mmHg (Cal.)
• Flash point: 296.136°C (Cal.)