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CS-W001157 4
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Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate

  • CAS No. 168279-54-7

  • Cat. No. CS-0061572
  • Molecule weightNone
  • Purity≥95%
  • MDL No.MFCD00085083

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

Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate|CS-0061572

Structure of 168279-54-7

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General Information

  • CAS No. 168279-54-7
  • Cat. No. CS-0061572
  • Purity ≥95%
  • MDL No. MFCD00085083
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₃S₂
  • Molecular Weight None
  • Synonym(s) Tetrahydro-3-methylthio-4-oxobenzo[c]thiophene-1-carboxylic acid ethylester
  • SMILES CCOC(=O)C1=C2CCCC(=O)C2=C(SC)S1

Synthesis

  • Route1
    • null|null
      75-15-0
    • In-stock
      Cyclohexane-1,3-dione|CS-W007466
      504-02-9
    • null|null
      105-36-2
    • null|null
      74-88-4
    • ~%
    • In-stock
      Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate|CS-0061572
      168279-54-7

    References

    • Synthetic Communications, , vol. 25, # 16 p. 2449 - 2455

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   43.37
  • LogP   3.1657
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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