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CS-W001157 4
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2,3,6,7-Tetrakis(2-cyanoethylthio)tetrathiafulvalene

  • CAS No. 132765-36-7

  • Cat. No. CS-0095572
  • Purity≥98%
  • MDL No.MFCD22124724

*For research and further manufacturing use only, not for direct human use.

2,3,6,7-Tetrakis(2-cyanoethylthio)tetrathiafulvalene|CS-0095572

Structure of 132765-36-7

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General Information

  • CAS No. 132765-36-7
  • Cat. No. CS-0095572
  • Purity ≥98%
  • MDL No. MFCD22124724
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₆N₄S₈
  • Molecular Weight 544.83
  • Synonym(s) 3-[[2-[4,5-Bis(2-cyanoethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile
  • SMILES N#CCCSC=1SC(SC1SCCC#N)=C2SC(SCCC#N)=C(S2)SCCC#N

Synthesis

  • Route1
    • 3,3'-((2-Oxo-1,3-dithiole-4,5-diyl)bis(sulfanediyl))dipropanenitrile|CS-0328627
      158871-28-4
    • ~70%
    • 2,3,6,7-Tetrakis(2-cyanoethylthio)tetrathiafulvalene|CS-0095572
      132765-36-7

    References

    • Binet, Laurent; Fahre, Jean Marc; Montginoul, Claude; Simonsen, Klaus Baek; Becher, Jan Journal of the Chemical Society - Perkin Transactions 1, 1996 , # 8 p. 783 - 788
  • Route2
    • null|null
      1204138-60-2
    • 3,3'-((2-Oxo-1,3-dithiole-4,5-diyl)bis(sulfanediyl))dipropanenitrile|CS-0328627
      158871-28-4
    • ~0%
    • null|null
      1204138-61-3
    • 2,3,6,7-Tetrakis(2-cyanoethylthio)tetrathiafulvalene|CS-0095572
      132765-36-7

    References

    • Skibinski, Maciej; Gomez, Rafael; Lork, Enno; Azov, Vladimir A. Tetrahedron, 2009 , vol. 65, # 50 p. 10348 - 10354
  • Route3
    • 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione|CS-0095561
      132765-35-6
    • ~%
    • 2,3,6,7-Tetrakis(2-cyanoethylthio)tetrathiafulvalene|CS-0095572
      132765-36-7

    References

    • Abashev, G. G.; Russkikh, V. S.; Shklyaeva, E. V.; Vladykin, V. I. Russian Journal of Organic Chemistry, 1995 , vol. 31, # 11 p. 1533 - 1537 Zhurnal Organicheskoi Khimii, 1995 , vol. 31, # 11 p. 1705 - 1710

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   95.16
  • LogP   7.91372
  • H_Acceptors   12
  • H_Donors   0
  • Rotatable_Bonds   12

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