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CS-W001157 4
Total: USD 88.00

Pyrimidine-4(3H)-thione

  • CAS No. 1450-86-8

  • Cat. No. CS-0045757
  • Molecule weight112.15
  • Purity≥97%
  • MDL No.None

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

Pyrimidine-4(3H)-thione|CS-0045757

Structure of 1450-86-8

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General Information

  • CAS No. 1450-86-8
  • Cat. No. CS-0045757
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄N₂S
  • Molecular Weight 112.15
  • Synonym(s) 4-Pyrimidinethiol
  • SMILES S=C1NC=NC=C1

Description

Pyrimidine-4(3H)-thione features a labile thione tautomer stabilized by aromaticity, enabling direct participation in nucleophilic substitution and metal coordination. This heterocyclic scaffold integrates readily into bioactive molecules and serves as a key motif in pharmaceutical intermediates and ligand design.

Application

Pyrimidine-4(3H)-thione serves as a versatile building block in heterocyclic synthesis, enabling efficient access to medicinally relevant pyrimidine scaffolds. Its thione functionality facilitates nucleophilic addition and metal-catalyzed coupling reactions, offering robust reactivity under standard conditions. The compound exhibits good bench stability and compatibility with common protecting groups, supporting its use in multi-step syntheses of agrochemicals and pharmaceutical intermediates.

Synthesis

  • Route1
    • Pyrimidin-4(3H)-one|CS-1262171
      51953-17-4
    • ~36%
    • In-stock
      Pyrimidine-4(3H)-thione|CS-0045757
      1450-86-8

    References

    • Imperial Chemical Industries PLC Patent: US5250536 A1, 1993 ;

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   28.68
  • LogP   1.13919
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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