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CS-W001157 4
Total: USD 88.00

3-(Tert-butylthio)picolinic acid

  • CAS No. 178811-41-1

  • Cat. No. CS-0448617
  • Molecule weight211.28
  • Purity≥98%
  • MDL No.None

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

3-(Tert-butylthio)picolinic acid|CS-0448617

Structure of 178811-41-1

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General Information

  • CAS No. 178811-41-1
  • Cat. No. CS-0448617
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂S
  • Molecular Weight 211.28
  • Synonym(s) 3-Tert-butylthio-2-carboxypyridine
  • SMILES CC(C)(C)SC1=C(C(=O)O)N=CC=C1

Synthesis

  • Route1
    • 3-(tert-Butylthio)picolinonitrile|CS-W009528
      178811-40-0
    • ~87%
    • 3-(Tert-butylthio)picolinic acid|CS-0448617
      178811-41-1

    References

    • ACHAOGEN, INC.; WAGMAN, Allan, Scott; MOSER, Heinz, Ernst Patent: WO2010/30811 A2, 2010 ; Location in patent: Page/Page column 77 ; WO 2010/030811 A2
  • Route2

    References

    • Tetrahedron Letters, , vol. 37, # 21 p. 3617 - 3618

Safety Information

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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   50.19
  • LogP   2.6704
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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