4,4,4-Trifluoro-2-({[1-methyl-1-(4-methylphenyl)-1-oxo-lambda~6~-sulphanylidene]amino}methylidene)-1-(2-thienyl)butane-1,3-dione

• Catalog: OFC1980007826-1
• CAS: 1980007-82-6
• Category: Fluorinated Thiophenes
• Synonyms: (2Z)-4,4,4-Trifluoro-2-[[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]methylidene]-1-thiophen-2-ylbutane-1,3-dione
• MDL Number: MFCD09998124

• IUPAC Name: (2Z)-4,4,4-trifluoro-2-[[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]methylidene]-1-thiophen-2-ylbutane-1,3-dione
• InChI: InChI=1S/C17H14F3NO3S2/c1-11-5-7-12(8-6-11)26(2,24)21-10-13(16(23)17(18,19)20)15(22)14-4-3-9-25-14/h3-10H,1-2H3/b13-10+
• InChI Key: NNWLDNMONHJSRI-JLHYYAGUSA-N
• Isomeric SMILES: CC1=CC=C(C=C1)S(=N/C=C(\C(=O)C2=CC=CS2)/C(=O)C(F)(F)F)(=O)C

• Molecular Formula: C17H14F3NO3S2
• Molecular Weight: 401.42

• XLogP3-AA: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 401.03672014 g/mol
• Monoisotopic Mass: 401.03672014 g/mol
• Topological Polar Surface Area: 100Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 701