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CS-W001157 4
Total: USD 88.00

4-(Methylthio)benzamide

  • CAS No. 90005-49-5

  • Cat. No. CS-0587782
  • Molecule weight167.23
  • Purity≥98%
  • MDL No.None

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

4-(Methylthio)benzamide|CS-0587782

Structure of 90005-49-5

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General Information

  • CAS No. 90005-49-5
  • Cat. No. CS-0587782
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NOS
  • Molecular Weight 167.23
  • Synonym(s) 4-(Methylsulfanyl)benzamide
  • SMILES CSC1=CC=C(C=C1)C(=O)N

Synthesis

  • Route1

    References

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

    References

    • Wu, Xiao-Feng; Neumann, Helfried; Neumann, Stephan; Beller, Matthias Tetrahedron Letters, 2013 , vol. 54, # 24 p. 3040 - 3042
  • Route3

    References

    • Garcia-Alvarez, Rocio; Zablocka, Maria; Crochet, Pascale; Duhayon, Carine; Majoral, Jean-Pierre; Cadierno, Victorio Green Chemistry, 2013 , vol. 15, # 9 p. 2447 - 2456

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

Quality Control

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   1.5074
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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