Cas no 63296-21-9 (Disulfide, methyl 4-nitrophenyl)

Disulfide, methyl 4-nitrophenyl structure
63296-21-9 structure
Product Name:Disulfide, methyl 4-nitrophenyl
CAS No:63296-21-9
MF:C7H7NO2S2
MW:201.26597905159
CID:426851
PubChem ID:485597
Update Time:2025-04-19

Disulfide, methyl 4-nitrophenyl Chemical and Physical Properties

Names and Identifiers

    • Disulfide, methyl 4-nitrophenyl
    • 1-(methyldisulfanyl)-4-nitrobenzene
    • 63296-21-9
    • CHEMBL459661
    • DTXSID90333137
    • SCHEMBL4908007
    • Inchi: 1S/C7H7NO2S2/c1-11-12-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
    • InChI Key: LCRFNNFXXDNMOV-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)[N+](=O)[O-])SC

Computed Properties

  • Exact Mass: 200.99191
  • Monoisotopic Mass: 200.99182081g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 152
  • 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: 2.3
  • Topological Polar Surface Area: 96.4?2

Experimental Properties

  • PSA: 43.14
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