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1-(5-Methyl-2-(methylthio)phenyl)ethan-1-one

  • CAS No. 1964-27-8

  • Cat. No. CS-0576277
  • Purity≥98%
  • MDL No.None

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

1-(5-Methyl-2-(methylthio)phenyl)ethan-1-one|CS-0576277

Structure of 1964-27-8

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General Information

  • CAS No. 1964-27-8
  • Cat. No. CS-0576277
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂OS
  • Molecular Weight 180.27
  • Synonym(s) 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one
  • SMILES CC(C1=CC(C)=CC=C1SC)=O

Synthesis

  • Route1

    References

    • Gasparic et al. Collection of Czechoslovak Chemical Communications, 1959 , vol. 24, p. 1839,1840
  • Route2
    • null|null
      106-45-6
    • ~%
    • 1-(5-Methyl-2-(methylthio)phenyl)ethan-1-one|CS-0576277
      1964-27-8

    References

    • Auwers; Arndt Chemische Berichte, 1909 , vol. 42, p. 543
  • Route3

    References

    • Ruwet,A.; Renson,M. Bulletin des Societes Chimiques Belges, 1969 , vol. 78, p. 571 - 582

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.91952
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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