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CS-W001157 4
Total: USD 88.00

2-(Methylsulfanyl)-1-phenylethan-1-one

  • CAS No. 5398-93-6

  • Cat. No. CS-0252868
  • Purity≥95%
  • MDL No.None

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

2-(Methylsulfanyl)-1-phenylethan-1-one|CS-0252868

Structure of 5398-93-6

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General Information

  • CAS No. 5398-93-6
  • Cat. No. CS-0252868
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀OS
  • Molecular Weight 166.24
  • Synonym(s) 2-methylsulfanyl-1-phenyl-ethanone
  • SMILES O=C(C1=CC=CC=C1)CSC

Synthesis

  • Route1
    • null|null
      70-11-1
    • null|null
      5188-07-8
    • ~95%
    • 2-(Methylsulfanyl)-1-phenylethan-1-one|CS-0252868
      5398-93-6

    References

    • ASTRAZENECA AB Patent: WO2008/115140 A1, 2008 ; Location in patent: Page/Page column 14; 15 ; WO 2008/115140 A1
  • Route2
    • null|null
      32368-19-7
    • In-stock
      Acetophenone|CS-0015982
      98-86-2
    • ~41%
    • null|null
      17565-23-0
    • 2-(Methylsulfanyl)-1-phenylethan-1-one|CS-0252868
      5398-93-6

    References

    • Arisawa, Mieko; Toriyama, Fumihiko; Yamaguchi, Masahiko Tetrahedron, 2011 , vol. 67, # 12 p. 2305 - 2312
  • Route3
    • null|null
      145508-26-5
    • null|null
      7570-85-6
    • ~97%
    • 2-(Methylsulfanyl)-1-phenylethan-1-one|CS-0252868
      5398-93-6

    References

    • Yu, Haifeng; Dong, Dewen; Ouyang, Yan; Wang, Yan; Liu, Qun Synlett, 2007 , # 1 p. 151 - 155

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.2323
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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