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5-(Methylthio)-1H-1,2,4-triazol-3-amine

  • CAS No. 45534-08-5

  • Cat. No. CS-0063193
  • Purity≥98%
  • MDL No.None

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

5-(Methylthio)-1H-1,2,4-triazol-3-amine|CS-0063193

Structure of 45534-08-5

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General Information

  • CAS No. 45534-08-5
  • Cat. No. CS-0063193
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₆N₄S
  • Molecular Weight 130.17
  • Synonym(s) 1H-1,2,4-Triazol-3-amine, 5-(methylthio)-
  • SMILES NC1=NNC(SC)=N1

Description

3-Amino-5-methylthio-1H-1,2,4-triazole on condensation with chloro-, bromo- and nitro-substituted 2-hydroxybenzaldehyde yields triazole derived Schiff base ligands. It is an efficient electrolyte additive in dye sensitized solar cell.3-Amino-5-methylthio-1H-1,2,4-triazole was used in the synthesis of heterocyclic disperse azo dyes based on 8-hydroxyquinoline.

Synthesis

  • Route1

    References

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

    References

    • Tolstyakov; Pevzner; Tselinskii Russian Journal of General Chemistry, 2000 , vol. 70, # 9 p. 1458 - 1465
  • Route3
    • null|null
      92945-30-7
    • null|null
      60-34-4
    • ~0%
    • null|null
      20184-94-5
    • null|null
      135857-21-5
    • In-stock
      5-(Methylthio)-1H-1,2,4-triazol-3-amine|CS-0063193
      45534-08-5

    References

    • Barkoczy, Jozsef; Reiter, Jozsef Journal of Heterocyclic Chemistry, 1992 , vol. 29, p. 1677 - 1683

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-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   67.59
  • LogP   0.1088
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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