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CS-W001157 4
Total: USD 88.00

3-(tert-Butylthio)picolinonitrile

  • CAS No. 178811-40-0

  • Cat. No. CS-W009528
  • Molecule weight192.28
  • Purity≥96%
  • MDL No.MFCD04116127

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

3-(tert-Butylthio)picolinonitrile|CS-W009528

Structure of 178811-40-0

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General Information

  • CAS No. 178811-40-0
  • Cat. No. CS-W009528
  • Purity ≥96%
  • MDL No. MFCD04116127
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂S
  • Molecular Weight 192.28
  • Synonym(s) 3-tert-Butylsulfanyl-pyridine-2-carbonitrile
  • SMILES N#CC1=NC=CC=C1SC(C)(C)C

Synthesis

  • Route1

    References

    • ACHAOGEN, INC. Patent: WO2009/55696 A1, 2009 ; Location in patent: Page/Page column 90-91 ;
  • Route2

    References

    • Memoli, Kevin A. Tetrahedron Letters, 1996 , vol. 37, # 21 p. 3617 - 3618

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.84388
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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