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1-(Cyanosulfanyl)propan-2-one

  • CAS No. 3029-48-9

  • Cat. No. CS-0239749
  • Purity≥95%
  • MDL No.None

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

1-(Cyanosulfanyl)propan-2-one|CS-0239749

Structure of 3029-48-9

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General Information

  • CAS No. 3029-48-9
  • Cat. No. CS-0239749
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅NOS
  • Molecular Weight 115.15
  • Synonym(s) 2-Oxopropyl thiocyanate
  • SMILES S(C#N)CC(C)=O

Synthesis

  • Route1

    References

    • McArthur, Silvia Gatti; Goetschi, Erwin; Palmer, Wylie Solang; Wichmann, Juergen; Woltering, Thomas Johannes Patent: US2006/217387 A1, 2006 ; Location in patent: Page/Page column 28 ; US 20060217387 A1
  • Route2
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      333-20-0
    • null|null
      78-95-5
    • ~%
    • 1-(Cyanosulfanyl)propan-2-one|CS-0239749
      3029-48-9

    References

    • Langille, Neil F.; Dakin, Les A.; Panek, James S. Organic Letters, 2002 , vol. 4, # 15 p. 2485 - 2488
  • Route3
    • null|null
      60211-88-3
    • null|null
      67-64-1
    • ~%
    • 1-(Cyanosulfanyl)propan-2-one|CS-0239749
      3029-48-9

    References

    • Cambie,R.C. et al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1979 , p. 765 - 770

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2922
Class : 8 (6.1)
Packing Group : Ⅲ
Hazard Statements : H301-H302-H314-H315-H319-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   0.78968
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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