Cas no 35106-11-7 (1,6,11,16-Tetraoxa-3,4,13,14-tetrathiacycloeicosane-2,5,12,15-tetrathione)

1,6,11,16-Tetraoxa-3,4,13,14-tetrathiacycloeicosane-2,5,12,15-tetrathione structure
35106-11-7 structure
Product Name:1,6,11,16-Tetraoxa-3,4,13,14-tetrathiacycloeicosane-2,5,12,15-tetrathione
CAS No:35106-11-7
MF:C12H16O4S8
MW:480.77303314209
CID:321491
PubChem ID:57357989
Update Time:2025-04-19

1,6,11,16-Tetraoxa-3,4,13,14-tetrathiacycloeicosane-2,5,12,15-tetrathione Chemical and Physical Properties

Names and Identifiers

    • 1,6,11,16-Tetraoxa-3,4,13,14-tetrathiacycloeicosane-2,5,12,15-tetrathione
    • 1,6,11,16-tetraoxa-3,4,13,14-tetrathiacycloicosane-2,5,12,15-tetrathione
    • 1,6,11,16-Tetraoxa-3,4,13,14-tetrathia-2,5,12,15-cyclocosanetetrathione
    • Tetramethylene tetraxanthogen
    • 35106-11-7
    • DTXSID00723969
    • Inchi: 1S/C12H16O4S8/c17-9-13-5-1-2-6-14-10(18)22-24-12(20)16-8-4-3-7-15-11(19)23-21-9/h1-8H2
    • InChI Key: GIHVTDLDIRGGQS-UHFFFAOYSA-N
    • SMILES: S1C(OCCCCOC(=S)SSC(OCCCCOC(=S)S1)=S)=S

Computed Properties

  • Exact Mass: 479.88168
  • Monoisotopic Mass: 479.8814284g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 0
  • Complexity: 365
  • 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: 5.9
  • Topological Polar Surface Area: 267?2

Experimental Properties

  • PSA: 36.92

1,6,11,16-Tetraoxa-3,4,13,14-tetrathiacycloeicosane-2,5,12,15-tetrathione Related Literature

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