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CS-W001157 4
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3-(4-(Tert-butyl)phenyl)-1H-1,2,4-triazole-5-thiol

  • CAS No. 69480-15-5

  • Cat. No. CS-0454993
  • Molecule weight233.33
  • Purity≥98%
  • MDL No.MFCD00177187

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

3-(4-(Tert-butyl)phenyl)-1H-1,2,4-triazole-5-thiol|CS-0454993

Structure of 69480-15-5

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General Information

  • CAS No. 69480-15-5
  • Cat. No. CS-0454993
  • Purity ≥98%
  • MDL No. MFCD00177187
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅N₃S
  • Molecular Weight 233.33
  • Synonym(s) 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol
  • SMILES CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)S

Synthesis

  • Route1

    References

    • Letters in Drug Design and Discovery, , vol. 9, # 3 p. 276 - 281
  • Route2

    References

    • Letters in Drug Design and Discovery, , vol. 9, # 3 p. 276 - 281

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+H312+H332-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   41.57
  • LogP   3.0579
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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