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CS-W001157 4
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{[(4-Nitrophenyl)methyl]sulfanyl}methanimidamide hydrobromide

  • CAS No. 64039-36-7

  • Cat. No. CS-0126385
  • Purity≥98%
  • MDL No.MFCD00035412

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

{[(4-Nitrophenyl)methyl]sulfanyl}methanimidamide hydrobromide|CS-0126385

Structure of 64039-36-7

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General Information

  • CAS No. 64039-36-7
  • Cat. No. CS-0126385
  • Purity ≥98%
  • MDL No. MFCD00035412
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀BrN₃O₂S
  • Molecular Weight 292.15
  • Synonym(s) p-Nitrobenzylisothiourea hydrobromide
  • SMILES N=C(SCC1=CC=C([N+]([O-])=O)C=C1)N.[H]Br

Synthesis

  • Route1
    • null|null
      17356-08-0
    • null|null
      100-11-8
    • ~92%
    • {[(4-Nitrophenyl)methyl]sulfanyl}methanimidamide hydrobromide|CS-0126385
      64039-36-7

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; MACIKENAS, Dainius Patent: WO2009/76200 A2, 2009 ; Location in patent: Page/Page column 55-56 ;

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   93.01
  • LogP   2.29937
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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