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CS-W001157 4
Total: USD 88.00

3-[(4-Methylphenyl)thio]propanenitrile

  • CAS No. 5331-06-6

  • Cat. No. CS-0071985
  • Purity≥97%
  • MDL No.None

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

3-[(4-Methylphenyl)thio]propanenitrile|CS-0071985

Structure of 5331-06-6

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General Information

  • CAS No. 5331-06-6
  • Cat. No. CS-0071985
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NS
  • Molecular Weight 177.27
  • Synonym(s) 3-[(4-Methylphenyl)sulfanyl]propanenitrile
  • SMILES N#CCCSC(C=C1)=CC=C1C

Synthesis

  • Route1
    • null|null
      107-13-1
    • null|null
      106-45-6
    • ~96%
    • 3-[(4-Methylphenyl)thio]propanenitrile|CS-0071985
      5331-06-6

    References

    • Azizi, Najmadin; Saki, Elham; Edrisi, Mahtab Comptes Rendus Chimie, 2011 , vol. 14, # 11 p. 973 - 977
  • Route2

    References

    • Xu, Xiao Bo; Yin, Xian Hong; Zhu, Yu Yang; Xu, Xin Hua; Luo, Tao; Li, Yin Hui; Lu, Xiong; Shao, Ling Ling; Pan, Jian Gao; Yang, Rong Hua Journal of Chemical Research, 2009 , # 12 p. 750 - 752
  • Route3
    • null|null
      106-45-6
    • ~%
    • 3-[(4-Methylphenyl)thio]propanenitrile|CS-0071985
      5331-06-6

    References

    • Monsanto Chem. Co. Patent: US2413917 , 1943 ;

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   23.79
  • LogP   3.0008
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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