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CS-W001157 4
Total: USD 88.00

2-(Methylthio)benzamide

  • CAS No. 54705-16-7

  • Cat. No. CS-0510573
  • Molecule weight167.23
  • Purity≥98%
  • MDL No.None

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

2-(Methylthio)benzamide|CS-0510573

Structure of 54705-16-7

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General Information

  • CAS No. 54705-16-7
  • Cat. No. CS-0510573
  • 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) 2-Methylsulfanyl-benzamide
  • SMILES O=C(N)C1=CC=CC=C1SC

Synthesis

  • Route1
    • null|null
      249764-80-5
    • ~75%
    • 2-(Methylthio)benzamide|CS-0510573
      54705-16-7

    References

    • Metallinos, Costa; Nerdinger, Sven; Snieckus, Victor Organic Letters, 1999 , vol. 1, # 8 p. 1183 - 1186
  • Route2
    • 2-(Methylthio)benzonitrile|CS-0331451
      6609-54-7
    • ~%
    • 2-(Methylthio)benzamide|CS-0510573
      54705-16-7

    References

    • Ni, Shuaishuai; Yuan, Yaxia; Huang, Jin; Mao, Xiaona; Lv, Maosheng; Zhu, Jin; Shen, Xu; Pei, Jianfeng; Lai, Luhua; Jiang, Hualiang; Li, Jian Journal of Medicinal Chemistry, 2009 , vol. 52, # 17 p. 5295 - 5298
  • Route3
    • null|null
      82573-53-3
    • ~%
    • 2-(Methylthio)benzamide|CS-0510573
      54705-16-7

    References

    • Metallinos, Costa; Nerdinger, Sven; Snieckus, Victor Organic Letters, 1999 , vol. 1, # 8 p. 1183 - 1186

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

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