3-{5-[(4,5-Dichloro-1H-imidazol-1-yl)sulphonyl]-2-thienyl}-1-methyl-5-(trifluoromethyl)-1h-pyrazole

• Catalog: OFC650592102
• CAS: 650592-10-2
• Category: Fluorinated Thiophenes
• Synonyms: 3-[5-(4,5-dichloroimidazol-1-yl)sulfonylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
• MDL Number: MFCD00109748

• IUPAC Name: 3-[5-(4,5-dichloroimidazol-1-yl)sulfonylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
• InChI: InChI=1S/C12H7Cl2F3N4O2S2/c1-20-8(12(15,16)17)4-6(19-20)7-2-3-9(24-7)25(22,23)21-5-18-10(13)11(21)14/h2-5H,1H3
• InChI Key: USRMCAMTQNZHFQ-UHFFFAOYSA-N
• Isomeric SMILES: CN1C(=CC(=N1)C2=CC=C(S2)S(=O)(=O)N3C=NC(=C3Cl)Cl)C(F)(F)F

• Molecular Formula: C12H7Cl2F3N4O2S2
• Molecular Weight: 431.24

• XLogP3-AA: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 429.9339577 g/mol
• Monoisotopic Mass: 429.9339577 g/mol
• Topological Polar Surface Area: 106Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 606