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CS-W001157 4
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5-(tert-Butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid

  • CAS No. 126231-22-9

  • Cat. No. CS-0067197
  • Molecule weightNone
  • Purity≥96%
  • MDL No.MFCD03944846

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

5-(tert-Butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid|CS-0067197

Structure of 126231-22-9

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General Information

  • CAS No. 126231-22-9
  • Cat. No. CS-0067197
  • Purity ≥96%
  • MDL No. MFCD03944846
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₂S
  • Molecular Weight None
  • Synonym(s) 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
  • SMILES O=C(C1=CC2=C(S1)CCC(C2)C(C)(C)C)O

Synthesis

  • Route1
    • null|null
      126231-19-4
    • ~%
    • In-stock
      5-(tert-Butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid|CS-0067197
      126231-22-9

    References

    • Synthetic Communications, , vol. 19, # 15 p. 2731 - 2736
  • Route2

    References

    • Synthetic Communications, , vol. 19, # 15 p. 2731 - 2736
  • Route3
    • null|null
      81292-71-9
    • ~%
    • In-stock
      5-(tert-Butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid|CS-0067197
      126231-22-9

    References

    • Synthetic Communications, , vol. 19, # 15 p. 2731 - 2736

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.5973
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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