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CS-W001157 4
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2-Pyrimidinethiol

  • CAS No. 131242-36-9

  • Cat. No. CS-0928501
  • Molecule weight112.15
  • Purity≥95%
  • MDL No.MFCD00006073

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

2-Pyrimidinethiol|CS-0928501

Structure of 131242-36-9

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General Information

  • CAS No. 131242-36-9
  • Cat. No. CS-0928501
  • Purity ≥95%
  • MDL No. MFCD00006073
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄N₂S
  • Molecular Weight 112.15
  • Synonym(s) 2-Mercaptopyrimidine
  • SMILES SC1=NC=CC=N1

Description

2-Pyrimidinethiol offers a reactive thiol group positioned at the 2-position of a pyrimidine core, enabling direct incorporation into nucleophilic conjugation workflows. This scaffold combines moderate electron density with enhanced stability under standard handling conditions, facilitating efficient coupling in synthetic and bioconjugation applications.

Application

2-Pyrimidinethiol serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrimidine-based scaffolds prevalent in medicinal chemistry. Its thiol functionality facilitates reliable conjugation reactions and metal coordination, while the aromatic core ensures stability under standard bench conditions. The compound functions effectively in nucleophilic substitutions and transition-metal-catalyzed couplings, offering predictable reactivity and straightforward purification.

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

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   0.7653
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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