4,6-Bis(difluoromethoxy)-2-(methylthio)pyrimidine

• Catalog: OFC100478259
• CAS: 100478-25-9
• Category: Fluorinated Pyrimidines
• Synonyms: 4,6-Bis(difluoromethoxy)-2-(methylsulfanyl)pyrimidine
• Purity: >98.0%(GC)

• IUPAC Name: 4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine
• InChI: InChI=1S/C7H6F4N2O2S/c1-16-7-12-3(14-5(8)9)2-4(13-7)15-6(10)11/h2,5-6H,1H3
• InChI Key: HURDQHYOXAOOJJ-UHFFFAOYSA-N
• Isomeric SMILES: CSC1=NC(=CC(=N1)OC(F)F)OC(F)F
• EC Number: 678-194-7
• Reaxys Registry Number: 13246835

• Molecular Formula: C7H6F4N2O2S
• Molecular Weight: 258.19
• Melting Point: 48 °C
• Appearance: White to almost white powder to crystal
• Solubility: Soluble in methanol

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 258.00861126 g/mol
• Monoisotopic Mass: 258.00861126 g/mol
• Topological Polar Surface Area: 69.5Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 195