1-(4-Fluorophenyl)-2-(2-(methylthio)pyrimidin-4-yl)ethanone

• Catalog: OFC217661999
• CAS: 217661-99-9
• Category: Fluorinated Pyrimidines
• Synonyms: 1-(4-fluorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone
• Purity: 95%
• MDL Number: MFCD18157689

• IUPAC Name: 1-(4-fluorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone
• InChI: InChI=1S/C13H11FN2OS/c1-18-13-15-7-6-11(16-13)8-12(17)9-2-4-10(14)5-3-9/h2-7H,8H2,1H3
• InChI Key: PQFVLCBGDSDMHY-UHFFFAOYSA-N
• Isomeric SMILES: CSC1=NC=CC(=N1)CC(=O)C2=CC=C(C=C2)F

• Molecular Formula: C13H11FN2OS
• Molecular Weight: 262.30
• Storage: Sealed in dry, room temperature

• XLogP3-AA: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 262.05761231 g/mol
• Monoisotopic Mass: 262.05761231 g/mol
• Topological Polar Surface Area: 68.2Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 282