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6-(Thiophen-2-yl)nicotinonitrile

  • CAS No. 619334-36-0

  • Cat. No. CS-0271026
  • Molecule weight186.23
  • Purity≥97%
  • MDL No.None

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

6-(Thiophen-2-yl)nicotinonitrile|CS-0271026

Structure of 619334-36-0

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General Information

  • CAS No. 619334-36-0
  • Cat. No. CS-0271026
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆N₂S
  • Molecular Weight 186.23
  • Synonym(s) 6-Thien-2-ylnicotinonitrile
  • SMILES C1=CSC(=C1)C2=NC=C(C=C2)C#N

Synthesis

  • Route1

    References

    • BAYER SCHERING PHARMA AKTIENGESELLSCHAFT; LUeCKING, Ulrich; CLEVE, Arwed; HAENDLER, Bernard; FAUS, Hortensia; KOeHR, Silke; IRLBACHER, Horst Patent: WO2011/29537 A1, 2011 ; Location in patent: Page/Page column 74-75 ; WO 2011/029537 A1
  • Route2

    References

    • Ismail, Mohamed A.; Brun, Reto; Easterbrook, Judy D.; Tanious, Farial A.; Wilson, W. David; Boykin, David W. Journal of Medicinal Chemistry, 2003 , vol. 46, # 22 p. 4761 - 4769

Safety Information

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GHS Pictogram : 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   2.68178
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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