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N-(pyridin-3-ylcarbamothioyl)benzamide

  • CAS No. 30162-36-8

  • Cat. No. CS-0559964
  • Molecule weight257.31
  • Purity≥98%
  • MDL No.None

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

N-(pyridin-3-ylcarbamothioyl)benzamide|CS-0559964

Structure of 30162-36-8

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General Information

  • CAS No. 30162-36-8
  • Cat. No. CS-0559964
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁N₃OS
  • Molecular Weight 257.31
  • Synonym(s) 1-Benzoyl-3-pyridin-3-yl-thiourea
  • SMILES C1=CC=C(C=C1)C(=O)NC(=S)NC2=CN=CC=C2

Synthesis

  • Route1

    References

    • Sarkis; Faisal Journal of Heterocyclic Chemistry, 1985 , vol. 22, # 1 p. 137 - 140
  • Route2
    • null|null
      462-08-8
    • null|null
      1147550-11-5
    • null|null
      98-88-4
    • ~62%
    • N-(pyridin-3-ylcarbamothioyl)benzamide|CS-0559964
      30162-36-8

    References

    • Zhao, Meng-Meng; Dong, Xiu-Yan; Yang, Yu-Hua; Li, Gang; Zhang, Yu-Jie; Yang, Xiao-Qin Asian Journal of Chemistry, 2013 , vol. 25, # 14 p. 8102 - 8104
  • Route3
    • null|null
      98-88-4
    • ~%
    • N-(pyridin-3-ylcarbamothioyl)benzamide|CS-0559964
      30162-36-8

    References

    • Rasmussen, C. R.; Villani, F. J.; Weaner, L. E.; Reynolds, B. E.; Hood, A. R.; et al. Synthesis, 1988 , # 6 p. 456 - 459

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

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Computational Chemistry Data

  • TPSA   54.02
  • LogP   2.2084
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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