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CS-W001157 4
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5-(Propan-2-yl)thiophene-2-carboxylic acid

  • CAS No. 29481-42-3

  • Cat. No. CS-0217908
  • Molecule weight170.23
  • Purity≥98%
  • MDL No.MFCD08696379

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

5-(Propan-2-yl)thiophene-2-carboxylic acid|CS-0217908

Structure of 29481-42-3

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General Information

  • CAS No. 29481-42-3
  • Cat. No. CS-0217908
  • Purity ≥98%
  • MDL No. MFCD08696379
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₂S
  • Molecular Weight 170.23
  • Synonym(s) 5-propan-2-ylthiophene-2-carboxylicacid
  • SMILES CC(C)C1=CC=C(C(=O)O)S1

Synthesis

  • Route1
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      861329-04-6
    • ~%
    • 5-(Propan-2-yl)thiophene-2-carboxylic acid|CS-0217908
      29481-42-3

    References

    • Messina; Brown Journal of the American Chemical Society, 1952 , vol. 74, p. 920,922
  • Route2

    References

    • Weinmayr Journal of the American Chemical Society, 1950 , vol. 72, p. 918
  • Route3

    References

    • Michaelides, Michael R.; Hong, Yufeng; DiDomenico Jr., Stanley; Bayburt, Erol K.; Asin, Karen E.; Britton, Donald R.; Lin, Chun Wel; Shiosaki, Kazumi Journal of Medicinal Chemistry, 1997 , vol. 40, # 11 p. 1585 - 1599

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.5697
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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