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CS-W001157 4
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5-Isobutyl-3-phenyl-2-thioxoimidazolidin-4-one

  • CAS No. 4399-40-0

  • Cat. No. CS-0367210
  • Molecule weight248.34
  • Purity≥97%
  • MDL No.None

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

5-Isobutyl-3-phenyl-2-thioxoimidazolidin-4-one|CS-0367210

Structure of 4399-40-0

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General Information

  • CAS No. 4399-40-0
  • Cat. No. CS-0367210
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆N₂OS
  • Molecular Weight 248.34
  • Synonym(s) PTH-leucine
  • SMILES CC(CC1C(N(C(N1)=S)C2=CC=CC=C2)=O)C

Synthesis

  • Route1

    References

    • Blotny Synthesis, 1983 , vol. No. 5, p. 391 - 392
  • Route2
    • L-Leucine, 99%|CS-1269060
      61-90-5
    • null|null
      103-72-0
    • ~%
    • 5-Isobutyl-3-phenyl-2-thioxoimidazolidin-4-one|CS-0367210
      4399-40-0

    References

    • Sjoequist Arkiv foer Kemi, 1957 , vol. 11, p. 129,130,132 Full Text Show Details Edman Acta Chemica Scandinavica (1947-1973), 1950 , vol. 4, p. 277,281 Full Text Show Details Fraenkel-Conrat; Harris Journal of the American Chemical Society, 1954 , vol. 76, p. 6058,6059,6061
  • Route3

    References

    • Zhuo, Chen; Xian, Dong; Hui, Xie; Mei, Li Heterocycles, 2011 , vol. 83, # 5 p. 1121 - 1127

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   32.34
  • LogP   2.3224
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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