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Ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • CAS No. 14559-12-7

  • Cat. No. CS-0210238
  • Purity≥98%
  • MDL No.MFCD01838496

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

Ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|CS-0210238

Structure of 14559-12-7

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General Information

  • CAS No. 14559-12-7
  • Cat. No. CS-0210238
  • Purity ≥98%
  • MDL No. MFCD01838496
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂S
  • Molecular Weight 210.29
  • Synonym(s) Ethyl 4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
  • SMILES CCOC(=O)C1=CSC2=C1CCCC2

Synthesis

  • Route1

    References

    • Mitsumori, Susumu; Tsuri, Tatsuo; Honma, Tsunetoshi; Hiramatsu, Yoshiharu; Okada, Toshihiko; Hashizume, Hiroshi; Inagaki, Masanao; Arimura, Akinori; Yasui, Kiyoshi; Asanuma, Fujio; Kishino, Junji; Ohtani, Mitsuaki Journal of Medicinal Chemistry, 2003 , vol. 46, # 12 p. 2446 - 2455

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.8036
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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