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2-(2-Propen-1-ylthio)benzoic acid

  • CAS No. 17839-66-6

  • Cat. No. CS-0235185
  • Molecule weight194.25
  • Purity≥95%
  • MDL No.None

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

2-(2-Propen-1-ylthio)benzoic acid|CS-0235185

Structure of 17839-66-6

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General Information

  • CAS No. 17839-66-6
  • Cat. No. CS-0235185
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂S
  • Molecular Weight 194.25
  • Synonym(s) 2-Allylsulfanylbenzoic acid
  • SMILES O=C(O)C1=CC=CC=C1SCC=C

Synthesis

  • Route1

    References

    • Dornan, Peter K.; Kou, Kevin G. M.; Houk; Dong, Vy M. Journal of the American Chemical Society, 2014 , vol. 136, # 1 p. 291 - 298
  • Route2

    References

    • Ye, Tao; Garcia, Concepcion Fernandez; McKervey, M. Anthony Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1995 , # 11 p. 1373 - 1380

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.6629
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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