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CS-W001157 4
Total: USD 88.00

3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one

  • CAS No. 13636-88-9

  • Cat. No. CS-0216983
  • Purity≥97%
  • MDL No.None

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

3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one|CS-0216983

Structure of 13636-88-9

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General Information

  • CAS No. 13636-88-9
  • Cat. No. CS-0216983
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂OS₂
  • Molecular Weight 224.34
  • Synonym(s) 3,3-BIS-METHYLSULFANYL-1-PHENYL-PROPENONE
  • SMILES CSC(=CC(=O)C1=CC=CC=C1)SC

Synthesis

  • Route1
    • null|null
      75-15-0
    • In-stock
      Acetophenone|CS-0015982
      98-86-2
    • null|null
      74-88-4
    • ~86%
    • 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one|CS-0216983
      13636-88-9

    References

    • Smyth, Lynette A.; Matthews, Thomas P.; Horton, Peter N.; Hursthouse, Michael B.; Collins, Ian Tetrahedron, 2010 , vol. 66, # 15 p. 2843 - 2854
  • Route2

    References

    • Huang, Zhi-Tang; Zhang, Ping-Cheng Synthetic Communications, 1990 , vol. 20, # 9 p. 1399 - 1407
  • Route3
    • null|null
      75-15-0
    • null|null
      74-83-9
    • In-stock
      Acetophenone|CS-0015982
      98-86-2
    • ~56%
    • 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one|CS-0216983
      13636-88-9

    References

    • Lakeev, S. I.; Galin, F. Z.; Tolstikov, G. A. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1989 , vol. 38, # 1.2 p. 202 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1989 , vol. 38, # 1 p. 213 - 214

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.4367
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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