Cas no 1133116-31-0 (1,5-bis(3-Bromophenylsulfonyl)-1,5-diazocane)

1,5-bis(3-Bromophenylsulfonyl)-1,5-diazocane structure
1133116-31-0 structure
Product Name:1,5-bis(3-Bromophenylsulfonyl)-1,5-diazocane
CAS No:1133116-31-0
MF:C18H20Br2N2O4S2
MW:552.300400733948
CID:857556
PubChem ID:46739325
Update Time:2025-04-19

1,5-bis(3-Bromophenylsulfonyl)-1,5-diazocane Chemical and Physical Properties

Names and Identifiers

    • 1,5-Bis((3-bromophenyl)sulfonyl)-1,5-diazocane
    • 1,5-Bis(3-bromophenylsulfonyl)-1,5-diazocane
    • 1,5-Bis(3-bromobenzene-1-sulfonyl)-1,5-diazocane
    • AKOS015834598
    • DTXSID30674935
    • BS-22674
    • MFCD11855949
    • 1,5-bis[(3-bromophenyl)sulfonyl]-1,5-diazocane
    • DB-250082
    • CS-0212438
    • 1133116-31-0
    • 1,5-BIS(3-BROMOBENZENESULFONYL)-1,5-DIAZOCANE
    • J-002944
    • 1,5-bis(3-Bromophenylsulfonyl)-1,5-diazocane
    • MDL: MFCD11855949
    • Inchi: 1S/C18H20Br2N2O4S2/c19-15-5-1-7-17(13-15)27(23,24)21-9-3-11-22(12-4-10-21)28(25,26)18-8-2-6-16(20)14-18/h1-2,5-8,13-14H,3-4,9-12H2
    • InChI Key: XUBSPPCOKWQFGT-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)S(N1CCCN(CCC1)S(C1C=CC=C(C=1)Br)(=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 549.92300
  • Monoisotopic Mass: 549.92312g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 651
  • 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: 3.8
  • Topological Polar Surface Area: 91.5?2

Experimental Properties

  • PSA: 91.52000
  • LogP: 5.72440

1,5-bis(3-Bromophenylsulfonyl)-1,5-diazocane Pricemore >>

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