Cas no 570387-45-0 (Thiophene, 2,2'-[1,1'-binaphthalene]-2,2'-diylbis-)

Thiophene, 2,2'-[1,1'-binaphthalene]-2,2'-diylbis- structure
570387-45-0 structure
Product Name:Thiophene, 2,2'-[1,1'-binaphthalene]-2,2'-diylbis-
CAS No:570387-45-0
MF:C28H18S2
MW:418.572524547577
CID:346869
PubChem ID:71444357
Update Time:2025-04-19

Thiophene, 2,2'-[1,1'-binaphthalene]-2,2'-diylbis- Chemical and Physical Properties

Names and Identifiers

    • Thiophene, 2,2'-[1,1'-binaphthalene]-2,2'-diylbis-
    • 2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
    • 2,2'-([1,1'-Binaphthalene]-2,2'-diyl)dithiophene
    • 570387-45-0
    • DTXSID50853144
    • Inchi: 1S/C28H18S2/c1-3-9-21-19(7-1)13-15-23(25-11-5-17-29-25)27(21)28-22-10-4-2-8-20(22)14-16-24(28)26-12-6-18-30-26/h1-18H
    • InChI Key: MWPQTEQJZRYQDX-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C1=CC=C2C=CC=CC2=C1C1C(C2=CC=CS2)=CC=C2C=CC=CC=12

Computed Properties

  • Exact Mass: 418.08514
  • Monoisotopic Mass: 418.08499292g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 3
  • Complexity: 525
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.7
  • Topological Polar Surface Area: 56.5?2

Experimental Properties

  • PSA: 0
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