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CS-W001157 4
Total: USD 88.00

6,7-Dihydro-2-pentylbenzo[b]thiophen-4(5H)-one

  • CAS No. 945953-48-0

  • Cat. No. CS-0341208
  • Molecule weight222.35
  • Purity≥95%
  • MDL No.None

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

6,7-Dihydro-2-pentylbenzo[b]thiophen-4(5H)-one|CS-0341208

Structure of 945953-48-0

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General Information

  • CAS No. 945953-48-0
  • Cat. No. CS-0341208
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈OS
  • Molecular Weight 222.35
  • Synonym(s) 2-Pentyl-6,7-dihydrobenzo[b]thiophen-4(5H)-one
  • SMILES CCCCCC1=CC2=C(CCCC2=O)S1

Synthesis

  • Route1
    • null|null
      945953-47-9
    • ~73%
    • 6,7-Dihydro-2-pentylbenzo[b]thiophen-4(5H)-one|CS-0341208
      945953-48-0

    References

    • Dezi, Cristina; Brea, Jose; Alvarado, Mario; Ravina, Enrique; Masaguer, Christian F.; Loza, Maria Isabel; Sanz, Ferran; Pastor, Manuel Journal of Medicinal Chemistry, 2007 , vol. 50, # 14 p. 3242 - 3255
  • Route2
    • 2-Pentylthiophene|CS-0128837
      4861-58-9
    • ~%
    • 6,7-Dihydro-2-pentylbenzo[b]thiophen-4(5H)-one|CS-0341208
      945953-48-0

    References

    • Dezi, Cristina; Brea, Jose; Alvarado, Mario; Ravina, Enrique; Masaguer, Christian F.; Loza, Maria Isabel; Sanz, Ferran; Pastor, Manuel Journal of Medicinal Chemistry, 2007 , vol. 50, # 14 p. 3242 - 3255
  • Route3
    • null|null
      945953-46-8
    • ~%
    • 6,7-Dihydro-2-pentylbenzo[b]thiophen-4(5H)-one|CS-0341208
      945953-48-0

    References

    • Dezi, Cristina; Brea, Jose; Alvarado, Mario; Ravina, Enrique; Masaguer, Christian F.; Loza, Maria Isabel; Sanz, Ferran; Pastor, Manuel Journal of Medicinal Chemistry, 2007 , vol. 50, # 14 p. 3242 - 3255

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.9998
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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