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5-(Hydroxymethyl)thiophene-2-carbonitrile

  • CAS No. 172349-09-6

  • Cat. No. CS-0212773
  • Molecule weight139.18
  • Purity≥97%
  • MDL No.MFCD22987913

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

5-(Hydroxymethyl)thiophene-2-carbonitrile|CS-0212773

Structure of 172349-09-6

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General Information

  • CAS No. 172349-09-6
  • Cat. No. CS-0212773
  • Purity ≥97%
  • MDL No. MFCD22987913
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅NOS
  • Molecular Weight 139.18
  • Synonym(s) None
  • SMILES C1=C(C#N)SC(=C1)CO

Synthesis

  • Route1

    References

    • Eli Lilly and Company Patent: US5710130 A1, 1998 ; US 5710130 A
  • Route2
    • null|null
      557-21-1
    • In-stock
      (5-Bromothien-2-yl)methanol|CS-0053897
      79387-71-6
    • ~%
    • In-stock
      5-(Hydroxymethyl)thiophene-2-carbonitrile|CS-0212773
      172349-09-6

    References

    • Ewing, William R.; Becker, Michael R.; Manetta, Vincent E.; Davis, Roderick S.; Pauls, Henry W.; Mason, Helen; Choi-Sledeski, Yong Mi; Green, Daniel; Cha, Don; Spada, Alfred P.; Cheney, Daniel L.; Mason, Jonathan S.; Maignan, Sebastien; Guilloteau, Jean-Pierre; Brown, Karen; Colussi, Dennis; Bentley, Ross; Bostwick, Jeff; Kasiewski, Charles J.; Morgan, Suzanne R.; Leadley, Robert J.; Dunwiddie, Christopher T.; Perrone, Mark H.; Chu, Valeria Journal of Medicinal Chemistry, 1999 , vol. 42, # 18 p. 3557 - 3571
  • Route3

    References

    • Ewing, William R.; Becker, Michael R.; Manetta, Vincent E.; Davis, Roderick S.; Pauls, Henry W.; Mason, Helen; Choi-Sledeski, Yong Mi; Green, Daniel; Cha, Don; Spada, Alfred P.; Cheney, Daniel L.; Mason, Jonathan S.; Maignan, Sebastien; Guilloteau, Jean-Pierre; Brown, Karen; Colussi, Dennis; Bentley, Ross; Bostwick, Jeff; Kasiewski, Charles J.; Morgan, Suzanne R.; Leadley, Robert J.; Dunwiddie, Christopher T.; Perrone, Mark H.; Chu, Valeria Journal of Medicinal Chemistry, 1999 , vol. 42, # 18 p. 3557 - 3571

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   44.02
  • LogP   1.11208
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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