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CS-W001157 4
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2-(Methylthio)benzonitrile

  • CAS No. 6609-54-7

  • Cat. No. CS-0331451
  • Molecule weight149.21
  • Purity≥97%
  • MDL No.None

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

2-(Methylthio)benzonitrile|CS-0331451

Structure of 6609-54-7

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General Information

  • CAS No. 6609-54-7
  • Cat. No. CS-0331451
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NS
  • Molecular Weight 149.21
  • Synonym(s) o-(Methylthio)benzonitrile
  • SMILES CSC1=CC=CC=C1C#N

Description

N-Boc-PEG12-alcohol is a PEG linker containing a hydroxyl group and Boc-protected amino group. The hydrophilic PEG spacer increases solubility in aqueous media. The hydroxyl group enables further derivatization or replacement with other reactive functional groups. The Boc group can be deprotected under mild acidic conditions to form the free amine.

Synthesis

  • Route1

    References

    • Sumitomo Seika Chemicals Co., Ltd.; HIYAMA, Takehiro; YOKOE, Ichiro; TAKEUCHI, Takeshi; SUZUKI, Michio Patent: EP2687519 A1, 2014 ; Location in patent: Paragraph 0037; 0038; 0041 ;
  • Route2

    References

    • Littke, Adam; Soumeillant, Maxime; Kaltenbach III, Robert F.; Cherney, Robert J.; Tarby, Christine M.; Kiau, Susanne Organic Letters, 2007 , vol. 9, # 9 p. 1711 - 1714
  • Route3

    References

    • US5633384 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.28018
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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