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6-Phenyl-2-sulfanylpyridine-3-carbonitrile

  • CAS No. 92126-72-2

  • Cat. No. CS-0261129
  • Purity≥97%
  • MDL No.None

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

6-Phenyl-2-sulfanylpyridine-3-carbonitrile|CS-0261129

Structure of 92126-72-2

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General Information

  • CAS No. 92126-72-2
  • Cat. No. CS-0261129
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈N₂S
  • Molecular Weight 212.27
  • Synonym(s) 6-phenyl-2-thioxohydropyridine-3-carbonitrile
  • SMILES C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)S

Synthesis

  • Route1

    References

    • BAELL, Jonathan Bayldon; STREET, Ian Philip; SLEEBS, Brad Edmund Patent: WO2012/131297 A1, 2012 ; Location in patent: Page/Page column 116 ; WO 2012/131297 A1
  • Route2

    References

    • Zheng, Ren-Lin; Zeng, Xiu-Xiu; He, Hai-Yun; He, Jun; Yang, Sheng-Yong; Yu, Luo-Ting; Yang, Li Synthetic Communications, 2012 , vol. 42, # 10 p. 1521 - 1531
  • Route3

    References

    • Wagner; Vieweg; Leistner; Bohm; Krasselt; Hanfe ld; Prantz; Grupe Pharmazie, 1990 , vol. 45, # 2 p. 102 - 109

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   36.68
  • LogP   2.90898
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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