4-[2-Methyl-6-(trifluoromethyl)pyridin-3-yl]pyrimidine-2-thiol

• Catalog: OFC1858250868
• CAS: 1858250-86-8
• Category: Fluorinated Pyrimidines
• Synonyms: 2(1H)-Pyrimidinethione, 6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-
• MDL Number: MFCD27995628

• IUPAC Name: 6-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]-1H-pyrimidine-2-thione
• InChI: InChI=1S/C11H8F3N3S/c1-6-7(8-4-5-15-10(18)17-8)2-3-9(16-6)11(12,13)14/h2-5H,1H3,(H,15,17,18)
• InChI Key: QBIIIRUPWJAHDS-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C(C=CC(=N1)C(F)(F)F)C2=CC=NC(=S)N2

• Molecular Formula: C11H8F3N3S
• Molecular Weight: 271.26

• XLogP3-AA: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 271.03910293 g/mol
• Monoisotopic Mass: 271.03910293 g/mol
• Topological Polar Surface Area: 69.4Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 403