2-Phenyl-5-pentafluorosulfanyl-1H-indole

• Catalog: OFC1394319697
• CAS: 1394319-69-7
• Category: Fluorinated Indoles
• Synonyms: 5-(pentafluoro-l6-sulfaneyl)-2-phenyl-1H-indole
• MDL Number: MFCD22421730

• IUPAC Name: pentafluoro-(2-phenyl-1H-indol-5-yl)-lambda6-sulfane
• InChI: InChI=1S/C14H10F5NS/c15-21(16,17,18,19)12-6-7-13-11(8-12)9-14(20-13)10-4-2-1-3-5-10/h1-9,20H
• InChI Key: BIGZMQMTQDVULK-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC3=C(N2)C=CC(=C3)S(F)(F)(F)(F)F

• Molecular Formula: C14H10F5NS
• Molecular Weight: 319.29

• XLogP3-AA: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 319.04541131 g/mol
• Monoisotopic Mass: 319.04541131 g/mol
• Topological Polar Surface Area: 16.8Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 402