Cas no 639459-71-5 (Thiazolium, 3,3'-(1,12-dodecanediyl)bis[5-ethyl-4-methyl-, diiodide)

Thiazolium, 3,3'-(1,12-dodecanediyl)bis[5-ethyl-4-methyl-, diiodide structure
639459-71-5 structure
Product Name:Thiazolium, 3,3'-(1,12-dodecanediyl)bis[5-ethyl-4-methyl-, diiodide
CAS No:639459-71-5
MF:C24H42I2N2S2
MW:676.542628765106
CID:1662851
PubChem ID:10439511
Update Time:2025-04-21

Thiazolium, 3,3'-(1,12-dodecanediyl)bis[5-ethyl-4-methyl-, diiodide Chemical and Physical Properties

Names and Identifiers

    • 5-ethyl-3-[12-(5-ethyl-4-methyl-1,3-thiazol-3-ium-3-yl)dodecyl]-4-methyl-1,3-thiazol-3-ium,diiodide
    • Thiazolium, 3,3'-(1,12-dodecanediyl)bis[5-ethyl-4-methyl-, diiodide
    • CHEMBL193319
    • DTXSID10439862
    • 639459-71-5
    • Inchi: 1S/C24H42N2S2.2HI/c1-5-23-21(3)25(19-27-23)17-15-13-11-9-7-8-10-12-14-16-18-26-20-28-24(6-2)22(26)4;;/h19-20H,5-18H2,1-4H3;2*1H/q+2;;/p-2
    • InChI Key: NOUOQTPDNPMPTP-UHFFFAOYSA-L
    • SMILES: [I-].[I-].S1C=[N+](C(C)=C1CC)CCCCCCCCCCCC[N+]1=CSC(CC)=C1C

Computed Properties

  • Exact Mass: 633.7584
  • Monoisotopic Mass: 676.08789g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 15
  • Complexity: 357
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 64.2?2

Experimental Properties

  • PSA: 7.76
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