Cas no 698999-54-1 (3-(2-pyridyl)-5,6-bis(5-sulfo-2-furyl)-1 ,2,4-triazine, dina salt/xh20)

3-(2-pyridyl)-5,6-bis(5-sulfo-2-furyl)-1 ,2,4-triazine, dina salt/xh20 structure
698999-54-1 structure
Product Name:3-(2-pyridyl)-5,6-bis(5-sulfo-2-furyl)-1 ,2,4-triazine, dina salt/xh20
CAS No:698999-54-1
MF:C16H10N4Na2O9S2
MW:512.381542682648
CID:974367
PubChem ID:16212147
Update Time:2025-04-19

3-(2-pyridyl)-5,6-bis(5-sulfo-2-furyl)-1 ,2,4-triazine, dina salt/xh20 Chemical and Physical Properties

Names and Identifiers

    • 3-(2-Pyridyl)-5,6-bis(5-sulfo-2-furyl)-1,2,4-triazine disodium salt hydrate
    • 3-(2-pyridyl)-5,6-bis(5-sulfo-2-furyl)-1 ,2,4-triazine, dina salt
    • xh20
    • 698999-54-1
    • DTXSID20583562
    • Disodium;5-[3-pyridin-2-yl-6-(5-sulfonatofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate;hydrate
    • Sodium 5,5'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]di(furan-2-sulfonate)--water (2/1/1)
    • 3-(2-pyridyl)-5,6-bis(5-sulfo-2-furyl)-1 ,2,4-triazine, dina salt/xh20
    • Inchi： 1S/C16H10N4O8S2.2Na.H2O/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9;;;/h1-8H,(H,21,22,23)(H,24,25,26);;;1H2/q;2*+1;/p-2
    • InChI Key： DWNJUBCJUHLHGY-UHFFFAOYSA-L
    • SMILES： S(C1=CC=C(C2C(C3=CC=C(O3)S(=O)(=O)[O-])=NN=C(C3C=CC=CN=3)N=2)O1)(=O)(=O)[O-].[Na+].[Na+].O

Computed Properties

  • Exact Mass: 511.96845882g/mol
  • Monoisotopic Mass: 511.96845882g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 3
  • Complexity: 787
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 210?2

3-(2-pyridyl)-5,6-bis(5-sulfo-2-furyl)-1 ,2,4-triazine, dina salt/xh20 Security Information

  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26-36
  • Hazardous Material Identification： Xi

3-(2-pyridyl)-5,6-bis(5-sulfo-2-furyl)-1 ,2,4-triazine, dina salt/xh20 Related Literature

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