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CS-W001157 4
Total: USD 88.00

3-Allyl-2-thioxo-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one

  • CAS No. 42062-91-9

  • Cat. No. CS-0219072
  • Molecule weight278.39
  • Purity≥97%
  • MDL No.None

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

3-Allyl-2-thioxo-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one|CS-0219072

Structure of 42062-91-9

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General Information

  • CAS No. 42062-91-9
  • Cat. No. CS-0219072
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₂OS₂
  • Molecular Weight 278.39
  • Synonym(s) 3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
  • SMILES O=C1C2=C(NC(N1CC=C)=S)SC3=C2CCCC3

Synthesis

  • Route1
    • null|null
      42062-89-5
    • ~%
    • 3-Allyl-2-thioxo-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one|CS-0219072
      42062-91-9

    References

    • Zhu, Jin; Chen, Tong; Liu, Jie; Ruoqun, Ma.; Lu, Weiqiang; Huang, Jin; Li, Honglin; Li, Jian; Jiang, Hualiang Molecules, 2009 , vol. 14, # 2 p. 785 - 797

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   37.79
  • LogP   3.18539
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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