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CS-W001157 4
Total: USD 88.00

3-(Methylthio)-as-Triazine

  • CAS No. 28735-21-9

  • Cat. No. CS-W018722
  • Purity≥98%
  • MDL No.MFCD00490024

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

3-(Methylthio)-as-Triazine|CS-W018722

Structure of 28735-21-9

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General Information

  • CAS No. 28735-21-9
  • Cat. No. CS-W018722
  • Purity ≥98%
  • MDL No. MFCD00490024
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅N₃S
  • Molecular Weight 127.17
  • Synonym(s) 3-Methylthio-1,2,4-triazine
  • SMILES CSC1=NC=CN=N1

Description

3-(Methylthio)-1,3,5-triazine features a methylthio group at the 3-position of the symmetric triazine core, delivering enhanced nucleophilic reactivity and improved solubility in polar organic solvents. This substitution pattern enables efficient coupling reactions in synthetic workflows, particularly for constructing sulfur-containing heterocycles and functionalized intermediates under mild conditions.

Application

3-(Methylthio)-1,3,5-triazine serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized heterocycles through nucleophilic substitution and metal-catalyzed coupling reactions. Its methylthio group offers moderate stability and facilitates selective transformations under mild conditions, making it valuable for constructing complex scaffolds in medicinal chemistry and agrochemical research.

Synthesis

  • Route1
    • null|null
      1314931-57-1
    • null|null
      131543-46-9
    • ~85%
    • In-stock
      3-(Methylthio)-as-Triazine|CS-W018722
      28735-21-9

    References

    • PIERRE FABRE MEDICAMENT; Leroy, Isabelle; Dupont-Passelaigue, Elisabeth; Mialhe, Samuel; Junquero, Didier; Valeille, Karine Patent: US2013/40928 A1, 2013 ; Location in patent: Paragraph 0226; 0227; 0228 ;
  • Route2
    • null|null
      131543-46-9
    • In-stock
      Methyl hydrazinecarbimidothioate hydroiodide|CS-0105940
      35600-34-1
    • ~90%
    • In-stock
      3-(Methylthio)-as-Triazine|CS-W018722
      28735-21-9

    References

    • Ban, Kung; Duffy, Sandra; Khakham, Yelena; Avery, Vicky M.; Hughes, Andrew; Montagnat, Oliver; Katneni, Kasiram; Ryan, Eileen; Baell, Jonathan B. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 20 p. 6024 - 6029

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.67
  • LogP   0.5935
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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