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N-Methyl-3-(methylsulfanyl)aniline

  • CAS No. 52960-99-3

  • Cat. No. CS-0216891
  • Molecule weight153.24
  • Purity≥95%
  • MDL No.None

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

N-Methyl-3-(methylsulfanyl)aniline|CS-0216891

Structure of 52960-99-3

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General Information

  • CAS No. 52960-99-3
  • Cat. No. CS-0216891
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NS
  • Molecular Weight 153.24
  • Synonym(s) N-methyl-3-methylthioaniline
  • SMILES CNC1=CC(=CC=C1)SC

Synthesis

  • Route1

    References

    • Hu, Lain-Yen; Quo, Junqing; Magar, Sharad S.; Fischer, James B.; Burke-Howie, Kathleen J.; Durant, Graham J. Journal of Medicinal Chemistry, 1997 , vol. 40, # 26 p. 4281 - 4289
  • Route2

    References

    • Padmanabhan, Seetharamaiyer; Reddy, N. Laxma; Durant, Graham J. Synthetic Communications, 1997 , vol. 27, # 4 p. 691 - 699

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   2.4502
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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