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CS-W001157 4
Total: USD 88.00

Thiazole-2(3H)-thione

  • CAS No. 5685-05-2

  • Cat. No. CS-0166787
  • Molecule weight117.19
  • Purity≥98%
  • MDL No.MFCD00022449

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

Thiazole-2(3H)-thione|CS-0166787

Structure of 5685-05-2

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General Information

  • CAS No. 5685-05-2
  • Cat. No. CS-0166787
  • Purity ≥98%
  • MDL No. MFCD00022449
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₃NS₂
  • Molecular Weight 117.19
  • Synonym(s) 1,3-Thiazole-2(3H)-thione
  • SMILES S=C1SC=CN1

Description

Thiazole-2(3H)-thione features a reactive thione tautomer stabilized by aromaticity, enabling direct participation in nucleophilic addition and metal coordination. This scaffold integrates readily into heterocyclic frameworks and serves as a key building block in medicinal chemistry and catalytic ligand design.

Application

Thiazole-2(3H)-thione serves as a versatile heterocyclic building block in medicinal chemistry and synthetic organic chemistry. Its thione functionality enables reliable participation in nucleophilic additions, metal-catalyzed couplings, and electrophilic substitutions. The compound exhibits bench stability and facilitates the construction of complex thiazole-based scaffolds, including those found in bioactive molecules. Functional group tolerance and ease of purification support its utility in multi-step syntheses.

Synthesis

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      Thiazole-2(3H)-thione|CS-0166787
      5685-05-2

    References

    • Journal of the American Chemical Society, , vol. 70, p. 1451 US2426397 , ;
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      Thiazole-2(3H)-thione|CS-0166787
      5685-05-2

    References

    • Journal of the American Chemical Society, , vol. 70, p. 1451 US2426397 , ;
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      107-20-0
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      Thiazole-2(3H)-thione|CS-0166787
      5685-05-2
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      5692-45-5

    References

    • Journal of the American Chemical Society, , vol. 77, p. 1283

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   15.79
  • LogP   1.80569
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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