Cas no 89846-89-9 ( )

  structure
  structure
Product Name: 
CAS No:89846-89-9
MF:C9H10N2O4S2
MW:274.316699504852
CID:993887
PubChem ID:262733
Update Time:2025-04-20

  Chemical and Physical Properties

Names and Identifiers

    • 2,4-dinitro-1-(propan-2-yldisulfanyl)benzene
    • NSC96670
    • NSC-96670
    • DTXSID60294443
    • NCIOpen2_007247
    • 89846-89-9
    •  
    • Inchi: 1S/C9H10N2O4S2/c1-6(2)16-17-9-4-3-7(10(12)13)5-8(9)11(14)15/h3-6H,1-2H3
    • InChI Key: NIHIVDGWEUZCEL-UHFFFAOYSA-N
    • SMILES: S(C(C)C)SC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 274.008
  • Monoisotopic Mass: 274.008
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 290
  • 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: 2.9
  • Topological Polar Surface Area: 142?2

Experimental Properties

  • Density: 1.43
  • Boiling Point: 383.4°C at 760 mmHg
  • Flash Point: 185.7°C
  • Refractive Index: 1.635
  • PSA: 142.24000
  • LogP: 4.69810
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