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Methyl 3-cyano-2-thiophenecarboxylate

  • CAS No. 67808-31-5

  • Cat. No. CS-0567121
  • Purity≥98%
  • MDL No.None

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

Methyl 3-cyano-2-thiophenecarboxylate|CS-0567121

Structure of 67808-31-5

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General Information

  • CAS No. 67808-31-5
  • Cat. No. CS-0567121
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₂S
  • Molecular Weight 167.19
  • Synonym(s) Methyl 3-cyanothiophene-2-carboxylate
  • SMILES O=C(C1=C(C#N)C=CS1)OC

Synthesis

  • Route1

    References

    • Kaizerman, Jacob A.; Gross, Matthew I.; Ge, Yigong; White, Sarah; Hu, Wenhao; Duan, Jian-Xin; Baird, Eldon E.; Johnson, Kirk W.; Tanaka, Richard D.; Moser, Heinz E.; Buerli, Roland W. Journal of Medicinal Chemistry, 2003 , vol. 46, # 18 p. 3914 - 3929

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.40638
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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