Methyl (4-Oxo-5,6,7,8-Tetrahydro[1]Benzothieno[2,3-d]Pyrimidin-3(4H)-Yl)Acetate
[CAS# 450376-42-8]

Identification

• Name: Methyl (4-Oxo-5,6,7,8-Tetrahydro[1]Benzothieno[2,3-d]Pyrimidin-3(4H)-Yl)Acetate
• Synonyms: (4-OXO-5,6,7,8-TETRAHYDRO-4H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-3-YL)-ACETICACIDMETHYLESTER; methyl 2-(4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-3-yl)acetate
• Molecular Formula: C₁₃H₁₄N₂O₃S
• Molecular Weight: 278.33
• CAS Registry Number: 450376-42-8
• SMILES: COC(=O)CN1C=NC2=C(C1=O)C3=C(S2)CCCC3
• InChI: 1S/C13H14N2O3S/c1-18-10(16)6-15-7-14-12-11(13(15)17)8-4-2-3-5-9(8)19-12/h7H,2-6H2,1H3
• InChIKey: JITSUDQGADZKNG-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 488.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 249.3±31.5°C (Cal.)
• Refractive index: 1.705 (Cal.)