4-Amino-2-(methylthio)-6-(trifluoromethyl)pyrimidine

• Catalog: OFC85730321
• CAS: 85730-32-1
• Category: Fluorinated Pyrimidines
• Synonyms: 2-(Methylthio)-6-(trifluoromethyl)pyrimidin-4-amine
• MDL Number: MFCD01011766

• IUPAC Name: 2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine
• InChI: InChI=1S/C6H6F3N3S/c1-13-5-11-3(6(7,8)9)2-4(10)12-5/h2H,1H3,(H2,10,11,12)
• InChI Key: DQSVETDPHKBGEL-UHFFFAOYSA-N
• Isomeric SMILES: CSC1=NC(=CC(=N1)N)C(F)(F)F

• Molecular Formula: C6H6F3N3S
• Molecular Weight: 209.19
• Melting Point: 120-121 °C

• XLogP3-AA: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 209.02345286 g/mol
• Monoisotopic Mass: 209.02345286 g/mol
• Topological Polar Surface Area: 77.1Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 175