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CS-W001157 4
Total: USD 88.00

3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine

  • CAS No. 41266-78-8

  • Cat. No. CS-0219046
  • Molecule weight240.71
  • Purity95+%
  • MDL No.None

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

3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine|CS-0219046

Structure of 41266-78-8

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General Information

  • CAS No. 41266-78-8
  • Cat. No. CS-0219046
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClN₄S
  • Molecular Weight 240.71
  • Synonym(s) 3-[(4-Chlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-ylamine
  • SMILES NC1=NC(SCC2=CC=C(Cl)C=C2)=NN1

Synthesis

  • Route1
    • null|null
      84828-08-0
    • ~76%
    • 3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine|CS-0219046
      41266-78-8

    References

    • Reiter, J.; Somorai, T.; Jerkovich, Gy.; Dvortsak, P. Journal of Heterocyclic Chemistry, 1982 , vol. 19, p. 1157 - 1164
  • Route2

    References

    • Novinson; Springer; O'Brien; Scholten; Miller; Robins Journal of Medicinal Chemistry, 1982 , vol. 25, # 4 p. 420 - 426

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-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   67.59
  • LogP   2.3326
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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