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CS-W001157 4
Total: USD 88.00

1-(3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)thiourea

  • CAS No. 1077628-67-1

  • Cat. No. CS-B0292
  • Purity≥98%
  • MDL No.None

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

1-(3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)thiourea|CS-B0292

Structure of 1077628-67-1

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General Information

  • CAS No. 1077628-67-1
  • Cat. No. CS-B0292
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₄OS
  • Molecular Weight 262.33
  • Synonym(s) None
  • SMILES S=C(N)NC1=CC=C(C(OC)=C1)N2C=NC(C)=C2

Synthesis

  • Route1
    • null|null
      1077628-66-0
    • ~70%
    • 1-(3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)thiourea|CS-B0292
      1077628-67-1

    References

    • Baumann, Karlheinz; Flohr, Alexander; Jacobsen, Helmut; Jolidon, Synese; Luebbers, Thomas Patent: US2008/280948 A1, 2008 ; Location in patent: Page/Page column 10 ; US 20080280948 A1
  • Route2
    • null|null
      1235492-02-0
    • ~97%
    • 1-(3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)thiourea|CS-B0292
      1077628-67-1

    References

    • BRISTOL-MYERS SQUIBB COMPANY; MARCIN, Lawrence, R.; THOMPSON, Lorin, A., III; BOY, Kenneth, M.; GUERNON, Jason, M.; HIGGINS, Mendi, A.; SHI, Jianliang; WU, Yong-Jin; ZHANG, Yunhui; MACOR, John, E. Patent: WO2010/83141 A1, 2010 ; Location in patent: Page/Page column 37 ; WO 2010/083141 A1
  • Route3

    References

    • Luebbers, Thomas; Flohr, Alexander; Jolidon, Synese; Jacobsen, Helmut; Ozmen, Laurence; Baumann, Karlheinz; David-Pierson, Pascale Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 21 p. 6554 - 6558

Safety Information

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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   65.1
  • LogP   1.84482
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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