4-Chloro-5-fluoro-2-(methylthio)pyrimidine

• Catalog: OFC6096453
• CAS: 6096-45-3
• Category: Fluorinated Pyrimidines
• Synonyms: 2-methylsulphenyl-4-chloro-5-fluoro-pyrimidine
• Purity: 98%
• MDL Number: MFCD14636507

• IUPAC Name: 4-chloro-5-fluoro-2-methylsulfanylpyrimidine
• InChI: InChI=1S/C5H4ClFN2S/c1-10-5-8-2-3(7)4(6)9-5/h2H,1H3
• InChI Key: UQWYZGXKPJZPLU-UHFFFAOYSA-N
• Isomeric SMILES: CSC1=NC=C(C(=N1)Cl)F

• Molecular Formula: C5H4ClFN2S
• Molecular Weight: 178.62
• Storage: Inert atmosphere, 2-8°C

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 177.9767752 g/mol
• Monoisotopic Mass: 177.9767752 g/mol
• Topological Polar Surface Area: 51.1Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116