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CS-W001157 4
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3,3-Bis(methylthio)-1-(pyridin-2-yl)prop-2-en-1-one

  • CAS No. 78570-34-0

  • Cat. No. CS-0322437
  • Molecule weight225.33
  • Purity≥98%
  • MDL No.None

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

3,3-Bis(methylthio)-1-(pyridin-2-yl)prop-2-en-1-one|CS-0322437

Structure of 78570-34-0

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General Information

  • CAS No. 78570-34-0
  • Cat. No. CS-0322437
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NOS₂
  • Molecular Weight 225.33
  • Synonym(s) 3,3-Bis(methylsulfanyl)-1-pyridin-2-ylprop-2-en-1-one
  • SMILES CSC(=CC(=O)C1=CC=CC=N1)SC

Synthesis

  • Route1
    • 1-(Pyridin-2-yl)ethanone  Imatinib Impurity|CS-0167014
      1122-62-9
    • null|null
      75-15-0
    • null|null
      74-88-4
    • ~70%
    • 3,3-Bis(methylthio)-1-(pyridin-2-yl)prop-2-en-1-one|CS-0322437
      78570-34-0

    References

    • Potts, Kevin T.; Cipullo, Michael J.; Ralli, Philip; Theodoridis, George Journal of the American Chemical Society, 1981 , vol. 103, # 12 p. 3585 - 3586
  • Route2
    • 1-(Pyridin-2-yl)ethanone  Imatinib Impurity|CS-0167014
      1122-62-9
    • null|null
      75-15-0
    • null|null
      77-78-1
    • ~%
    • 3,3-Bis(methylthio)-1-(pyridin-2-yl)prop-2-en-1-one|CS-0322437
      78570-34-0

    References

    • Tomozane, Hideo; Takeuchi, Yasuo; Yamato, Masatoshi Chemical & Pharmaceutical Bulletin, 1988 , vol. 36, # 1 p. 401 - 404

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.8317
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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