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CS-W001157 4
Total: USD 88.00

Methyl 4-(methylthio)benzoate

  • CAS No. 3795-79-7

  • Cat. No. CS-W017099
  • Purity≥98%
  • MDL No.MFCD01313010

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

Methyl 4-(methylthio)benzoate|CS-W017099

Structure of 3795-79-7

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General Information

  • CAS No. 3795-79-7
  • Cat. No. CS-W017099
  • Purity ≥98%
  • MDL No. MFCD01313010
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂S
  • Molecular Weight 182.24
  • Synonym(s) Methyl p-(Methoxycarbonyl)phenyl Sulfide
  • SMILES O=C(OC)C1=CC=C(SC)C=C1

Synthesis

  • Route1

    References

    • Zweifel, Theo; Naubron, Jean-Valere; Gruetzmacher, Hansjoerg Angewandte Chemie - International Edition, 2009 , vol. 48, # 3 p. 559 - 563
  • Route2

    References

    • Marchal, Joel; Bodiguel, Jacques; Fort, Yves; Caubere, Paul Journal of Organic Chemistry, 1995 , vol. 60, # 26 p. 8336 - 8340
  • Route3

    References

    • Powell, Adam B.; Stahl, Shannon S. Organic Letters, 2013 , vol. 15, # 19 p. 5072 - 5075

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.1951
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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