Product Name

  • Name

    Ketal compound

  • EINECS 305-581-7
  • CAS No. 94732-98-6
  • Density
  • Solubility
  • Melting Point
  • Formula C24H28FN3O2S
  • Boiling Point
  • Molecular Weight 441.5614232
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 94732-98-6 (Ketal compound)
  • Hazard Symbols
  • Synonyms Ketal compound;1-[1-[3-[1,3-dioxolan-2-yl-2-(4-fluorophenyl)]propyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazole-2-thione;1-[1-[3-[2-(p-Fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-piperidyl]-1H-benzimidazole-2(3H)-thione
  • PSA 74.51000
  • LogP 4.95960

2H-Benzimidazole-2-thione,1-[1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-piperidinyl]-1,3-dihydro- Specification

The 2H-Benzimidazole-2-thione,1-[1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-piperidinyl]-1,3-dihydro-, with the CAS registry number 94732-98-6, is also known as Ketal compound. Its EINECS registry number is 305-581-7. This chemical's molecular formula is C24H28FN3O2S and molecular weight is 441.5614232. Its IUPAC name is called 3-[1-[3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)propyl]piperidin-4-yl]-1H-benzimidazole-2-thione.

Physical properties of 2H-Benzimidazole-2-thione,1-[1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-piperidinyl]-1,3-dihydro-: (1)XLogP3: 4.4; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 6; (5)Tautomer Count: 2; (6)Exact Mass: 441.188626; (7)MonoIsotopic Mass: 441.188626; (8)Topological Polar Surface Area: 69.1; (9)Heavy Atom Count: 31; (10)Formal Charge: 0; (11)Complexity: 604; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 1; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CC(CC4OCCO4)C5=CC=C(C=C5)F
(2)InChI: InChI=1S/C24H28FN3O2S/c25-19-7-5-17(6-8-19)18(15-23-29-13-14-30-23)16-27-11-9-20(10-12-27)28-22-4-2-1-3-21(22)26-24(28)31/h1-8,18,20,23H,9-16H2,(H,26,31)
(3)InChIKey: SIVSFYVOIRBJQP-UHFFFAOYSA-N

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