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CS-W001157 4
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3-Butyl-2-sulfanyl-3,4-dihydroquinazolin-4-one

  • CAS No. 13906-07-5

  • Cat. No. CS-0219135
  • Purity95+%
  • MDL No.None

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

3-Butyl-2-sulfanyl-3,4-dihydroquinazolin-4-one|CS-0219135

Structure of 13906-07-5

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General Information

  • CAS No. 13906-07-5
  • Cat. No. CS-0219135
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂OS
  • Molecular Weight 234.32
  • Synonym(s) 3-Butyl-2-mercapto-3H-quinazolin-4-one
  • SMILES CCCCN1C(C2=CC=CC=C2NC1=S)=O

Synthesis

  • Route1

    References

    • Wang, Man-Man; Dou, Guo-Lan; Shi, Da-Qing Journal of Heterocyclic Chemistry, 2010 , vol. 47, # 4 p. 939 - 943
  • Route2
    • null|null
      75-15-0
    • 2-Amino-N-butylbenzamide|CS-0297695
      10494-82-3
    • ~50%
    • 3-Butyl-2-sulfanyl-3,4-dihydroquinazolin-4-one|CS-0219135
      13906-07-5

    References

    • Elansary, Afaf K.; Kadry, Hanan H.; Ahmed, Eman M.; Sonousi, Amr Sayed Motawi Medicinal Chemistry Research, 2012 , vol. 21, # 11 p. 3327 - 3335
  • Route3

    References

    • Chan, Chao-Han; Shish, Fang-Jy; Liu, Kang-Chien; Chern, Ji-Wang Heterocycles, 1987 , vol. 26, # 12 p. 3193 - 3196

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   2.85919
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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