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CS-W001157 4
Total: USD 88.00

5-(4-Bromophenyl)-4H-1,2,4-triazole-3-thiol

  • CAS No. 39631-33-9

  • Cat. No. CS-0307759
  • Molecule weight256.12
  • Purity95+%
  • MDL No.None

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

5-(4-Bromophenyl)-4H-1,2,4-triazole-3-thiol|CS-0307759

Structure of 39631-33-9

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General Information

  • CAS No. 39631-33-9
  • Cat. No. CS-0307759
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrN₃S
  • Molecular Weight 256.12
  • Synonym(s) 5-(4-Bromo-phenyl)-4H-[1,2,4]triazole-3-thiol
  • SMILES C1=C(C=CC(=C1)Br)C2=NNC(=N2)S

Synthesis

  • Route1
    • null|null
      39631-30-6
    • ~67%
    • 5-(4-Bromophenyl)-4H-1,2,4-triazole-3-thiol|CS-0307759
      39631-33-9

    References

    • Narayan, Sat; Handa, R. N.; Pujari, H. K. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1985 , vol. 24, p. 1221 - 1223
  • Route2

    References

    • Chao, Shu-Jun; Geng, Ming-Jiang; Wang, Ying-Ling Journal of the Korean Chemical Society, 2010 , vol. 54, # 6 p. 731 - 736

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-H315-H319-H332-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   2.5229
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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