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CS-W001157 4
Total: USD 88.00

4,5-Dicyano-1,3-dithiol-2-one

  • CAS No. 934-31-6

  • Cat. No. CS-0095858
  • Molecule weight168.20
  • Purity≥98%
  • MDL No.None

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

4,5-Dicyano-1,3-dithiol-2-one|CS-0095858

Structure of 934-31-6

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General Information

  • CAS No. 934-31-6
  • Cat. No. CS-0095858
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅N₂OS₂
  • Molecular Weight 168.20
  • Synonym(s) 2-Oxo-1,3-dithiole-4,5-dicarbonitrile
  • SMILES O=C1SC(C#N)=C(C#N)S1

Synthesis

  • Route1
    • null|null
      32315-10-9
    • (Z)-2,3-Dimercapto-2-butenedinitrile disodium salt|CS-W016822
      5466-54-6
    • ~50%
    • 4,5-Dicyano-1,3-dithiol-2-one|CS-0095858
      934-31-6

    References

    • Chen, Tie; Wang, Chunlan; Cong, Zhiqi; Yin, Bingzhu; Imafuku, Kimiaki Heterocycles, 2005 , vol. 65, # 1 p. 187 - 193

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-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   64.65
  • LogP   0.91316
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   0

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