Cas no 89847-03-0 (Benzene, 1,1'-sulfonylbis[4-[(4-nitrophenyl)thio]-)

Benzene, 1,1'-sulfonylbis[4-[(4-nitrophenyl)thio]- structure
89847-03-0 structure
Product Name:Benzene, 1,1'-sulfonylbis[4-[(4-nitrophenyl)thio]-
CAS No:89847-03-0
MF:C24H16N2O6S3
MW:524.588642120361
CID:587160
PubChem ID:71326517
Update Time:2025-04-19

Benzene, 1,1'-sulfonylbis[4-[(4-nitrophenyl)thio]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,1'-sulfonylbis[4-[(4-nitrophenyl)thio]-
    • 1-nitro-4-[4-[4-(4-nitrophenyl)sulfanylphenyl]sulfonylphenyl]sulfanylbenzene
    • 1,1'-{Sulfonylbis[(4,1-phenylene)sulfanediyl]}bis(4-nitrobenzene)
    • 89847-03-0
    • DTXSID10755695
    • Inchi: 1S/C24H16N2O6S3/c27-25(28)17-1-5-19(6-2-17)33-21-9-13-23(14-10-21)35(31,32)24-15-11-22(12-16-24)34-20-7-3-18(4-8-20)26(29)30/h1-16H
    • InChI Key: ACZTTXMGEQGRHE-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)SC1C=CC(=CC=1)[N+](=O)[O-])(C1C=CC(=CC=1)SC1C=CC(=CC=1)[N+](=O)[O-])(=O)=O

Computed Properties

  • Exact Mass: 524.01704976g/mol
  • Monoisotopic Mass: 524.01704976g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 6
  • Complexity: 746
  • 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: 6.7
  • Topological Polar Surface Area: 185?2
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