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4,8-Bis(N-octyloxy)benzo1,2-b:4,5-b'dithiophene-2,6-dicarbaldehyde | 1668554-22-0

Product name:4,8-Bis(N-octyloxy)benzo1,2-b:4,5-b'dithiophene-2,6-dicarbaldehyde

CAS No:1668554-22-0
MF:C28H38O4S2
MW:502.7289
MDL:MFCD30725741
CID:3162265
PubChem ID:354334463
Names and Identifiers
  • 4,8-Bis(n-octyloxy)benzo[1,2-b:4,5-b']dithiophene-2,6-dicarbaldehyde
  • i>:4,5-<i>b'<
  • 4,5-b']dithiophene-2,6-dicarbaldehyde
  • 4,8-Bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene-2,6-dicarbaldehyde
  • 4,8-Dioctoxythieno[2,3-f][1]benzothiole-2,6-dicarbaldehyde
  • MDL:MFCD30725741
  • InChIKey:JDPODAXHWNAIOO-UHFFFAOYSA-N
  • Inchi:1S/C28H38O4S2/c1-3-5-7-9-11-13-15-31-25-23-17-21(19-29)34-28(23)26(24-18-22(20-30)33-27(24)25)32-16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
  • SMILES:S1C(C([H])=O)=C([H])C2C1=C(C1C([H])=C(C([H])=O)SC=1C=2OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 502.7g/mol
  • Surface Charge: 0
  • XLogP3: 10.3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Rotatable Bond Count: 18
  • Monoisotopic Mass: 502.221152g/mol
  • Monoisotopic Mass: 502.221152g/mol
  • Topological Polar Surface Area: 109Ų
  • Heavy Atom Count: 34
  • Complexity: 539
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

  • Melting Point: 104.0 to 108.0 deg-C
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