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CS-W001157 4
Total: USD 88.00

3-Cyanothiophene-2-carboxylic acid

  • CAS No. 58231-00-8

  • Cat. No. CS-0252602
  • Purity≥98%
  • MDL No.None

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

3-Cyanothiophene-2-carboxylic acid|CS-0252602

Structure of 58231-00-8

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General Information

  • CAS No. 58231-00-8
  • Cat. No. CS-0252602
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃NO₂S
  • Molecular Weight 153.16
  • Synonym(s) 3-Cyano-2-thiophenecarboxylic acid
  • SMILES O=C(C1=C(C#N)C=CS1)O

Synthesis

  • Route1
    • Methyl 3-cyano-2-thiophenecarboxylate|CS-0567121
      67808-31-5
    • ~92%
    • In-stock
      3-Cyanothiophene-2-carboxylic acid|CS-0252602
      58231-00-8

    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
  • Route2

    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
  • Route3
    • null|null
      125620-28-2
    • null|null
      189331-40-6
    • ~%
    • In-stock
      3-Cyanothiophene-2-carboxylic acid|CS-0252602
      58231-00-8

    References

    • Takeda Chemical Industries, Ltd. Patent: US5840917 A1, 1998 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.31798
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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