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7-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

  • CAS No. 95211-71-5

  • Cat. No. CS-0070151
  • Purity≥97%
  • MDL No.MFCD01910044

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

7-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|CS-0070151

Structure of 95211-71-5

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General Information

  • CAS No. 95211-71-5
  • Cat. No. CS-0070151
  • Purity ≥97%
  • MDL No. MFCD01910044
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂N₂OS
  • Molecular Weight 220.29
  • Synonym(s) 7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
  • SMILES O=C1C2=C(N=CN1)SC3=C2CCC(C)C3

Synthesis

  • Route1

    References

    • Perrissin; Favre; Luu-Duc; et al. European Journal of Medicinal Chemistry, 1984 , vol. 19, # 5 p. 420 - 424
  • Route2

    References

    • Patil; Sadana Journal of the Indian Chemical Society, 1991 , vol. 68, # 3 p. 169 - 171
  • Route3
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    • 7-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|CS-0070151
      95211-71-5

    References

    • Golub, Andriy G.; Bdzhola, Volodymyr G.; Briukhovetska, Nadiia V.; Balanda, Anatoliy O.; Kukharenko, Olexander P.; Kotey, Igor M.; Ostrynska, Olga V.; Yarmoluk, Sergiy M. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 3 p. 870 - 876

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   45.75
  • LogP   2.1094
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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