Cas no 87473-80-1 (1-Naphthalenesulfonyl isocyanate, 5,6,7,8-tetrahydro-)

1-Naphthalenesulfonyl isocyanate, 5,6,7,8-tetrahydro- structure
87473-80-1 structure
Product Name:1-Naphthalenesulfonyl isocyanate, 5,6,7,8-tetrahydro-
CAS No:87473-80-1
MF:C11H11NO3S
MW:237.274941682816
CID:655993
PubChem ID:20449208
Update Time:2025-04-19

1-Naphthalenesulfonyl isocyanate, 5,6,7,8-tetrahydro- Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenesulfonyl isocyanate, 5,6,7,8-tetrahydro-
    • DTXSID101223759
    • 5,6,7,8-Tetrahydro-1-naphthalenesulfonyl isocyanate
    • SCHEMBL11079925
    • 87473-80-1
    • Inchi: 1S/C11H11NO3S/c13-8-12-16(14,15)11-7-3-5-9-4-1-2-6-10(9)11/h3,5,7H,1-2,4,6H2
    • InChI Key: ZWPQJDXDRBRRHB-UHFFFAOYSA-N
    • SMILES: S(C1=CC=CC2CCCCC=21)(N=C=O)(=O)=O

Computed Properties

  • Exact Mass: 237.04596439g/mol
  • Monoisotopic Mass: 237.04596439g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 392
  • 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: 3.7
  • Topological Polar Surface Area: 72?2
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