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

• Catalog: OFC87789513
• CAS: 87789-51-3
• Category: Fluorinated Pyrimidines
• Synonyms: Pyrimidine, 2-chloro-5-fluoro-4-(methylthio)-
• MDL Number: MFCD16876993

• IUPAC Name: 2-chloro-5-fluoro-4-methylsulfanylpyrimidine
• InChI: InChI=1S/C5H4ClFN2S/c1-10-4-3(7)2-8-5(6)9-4/h2H,1H3
• InChI Key: JORGKVXNFHVPKA-UHFFFAOYSA-N
• Isomeric SMILES: CSC1=NC(=NC=C1F)Cl
• EC Number: 800-022-8

• Molecular Formula: C5H4ClFN2S
• Molecular Weight: 178.62

• 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