3-(4-Fluorophenyl)-2-Methyl-5,6,7,8-Tetrahydro-[1]Benzothiolo[3,2-e]Pyrimidin-4-One
[CAS# 34387-08-1]

Identification

• Name: 3-(4-Fluorophenyl)-2-Methyl-5,6,7,8-Tetrahydro-[1]Benzothiolo[3,2-e]Pyrimidin-4-One
• Synonyms: 3-(4-Fluorophenyl)-2-Methyl-5,6,7,8-Tetrahydrobenzothiopheno[3,2-E]Pyrimidin-4-One; 3-(P-Fluorophenyl)-2-Methyl-4-Oxo-5,6-Tetramethylenethieno(2,3-D)Pyrimidine; Brn 0561562
• Molecular Formula: C₁₇H₁₅FN₂OS
• Molecular Weight: 314.38
• CAS Registry Number: 34387-08-1
• SMILES: C4=C(N3C(=O)C1=C(SC2=C1CCCC2)N=C3C)C=CC(=C4)F
• InChI: 1S/C17H15FN2OS/c1-10-19-16-15(13-4-2-3-5-14(13)22-16)17(21)20(10)12-8-6-11(18)7-9-12/h6-9H,2-5H2,1H3
• InChIKey: BOVPWLXJWLKDKJ-UHFFFAOYSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 516.308°C at 760 mmHg (Cal.)
• Flash point: 266.054°C (Cal.)