Cas no 40912-27-4 (Benzene, 1,3-bis[(4-phenoxyphenyl)sulfonyl]-)

Benzene, 1,3-bis[(4-phenoxyphenyl)sulfonyl]- structure
40912-27-4 structure
Product Name:Benzene, 1,3-bis[(4-phenoxyphenyl)sulfonyl]-
CAS No:40912-27-4
MF:C30H22O6S2
MW:542.622086048126
CID:324386
PubChem ID:20345135
Update Time:2025-04-19

Benzene, 1,3-bis[(4-phenoxyphenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,3-bis[(4-phenoxyphenyl)sulfonyl]-
    • 1,3-bis[(4-phenoxyphenyl)sulfonyl]benzene
    • SCHEMBL11418604
    • DTXSID10605742
    • 1,3-Bis(p-phenoxybenzenesulfonyl)benzene
    • XFOXQHQFFRKZFU-UHFFFAOYSA-N
    • 1,1'-[1,3-Phenylenebis(sulfonyl-4,1-phenyleneoxy)]dibenzene
    • 40912-27-4
    • Inchi: 1S/C30H22O6S2/c31-37(32,27-18-14-25(15-19-27)35-23-8-3-1-4-9-23)29-12-7-13-30(22-29)38(33,34)28-20-16-26(17-21-28)36-24-10-5-2-6-11-24/h1-22H
    • InChI Key: XFOXQHQFFRKZFU-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)OC1C=CC=CC=1)(C1C=CC=C(C=1)S(C1C=CC(=CC=1)OC1C=CC=CC=1)(=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 542.08578076g/mol
  • Monoisotopic Mass: 542.08578076g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 8
  • Complexity: 848
  • 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: 6.6
  • Topological Polar Surface Area: 104?2
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