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CS-W001157 4
Total: USD 88.00

1-(4-Nitrophenyl)thiourea

  • CAS No. 3696-22-8

  • Cat. No. CS-0287154
  • Molecule weight197.21
  • Purity≥98%
  • MDL No.None

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

1-(4-Nitrophenyl)thiourea|CS-0287154

Structure of 3696-22-8

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General Information

  • CAS No. 3696-22-8
  • Cat. No. CS-0287154
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇N₃O₂S
  • Molecular Weight 197.21
  • Synonym(s) 1-(4-Nitrophenyl)-2-thiourea
  • SMILES O=[N+]([O-])C1=CC=C(NC(N)=S)C=C1

Synthesis

  • Route1
    • null|null
      1147550-11-5
    • null|null
      100-01-6
    • ~30%
    • 1-(4-Nitrophenyl)thiourea|CS-0287154
      3696-22-8

    References

    • WO2009/114552 A1, ; Page/Page column 94-95 ;
  • Route2
    • N-((4-nitrophenyl)carbamothioyl)benzamide|CS-0361983
      40611-33-4
    • ~80%
    • 1-(4-Nitrophenyl)thiourea|CS-0287154
      3696-22-8

    References

    • Tetrahedron Letters, , vol. 46, # 35 p. 5841 - 5843
  • Route3
    • null|null
      2131-61-5
    • ~%
    • 1-(4-Nitrophenyl)thiourea|CS-0287154
      3696-22-8

    References

    • Journal of the Chemical Society, , vol. 125, p. 1704

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   81.19
  • LogP   1.2503
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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