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CS-W001157 4
Total: USD 88.00

2-(Methylthio)pyrimidine-5-carbonitrile

  • CAS No. 38275-43-3

  • Cat. No. CS-W010962
  • Purity≥97%
  • MDL No.MFCD11046326

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

2-(Methylthio)pyrimidine-5-carbonitrile|CS-W010962

Structure of 38275-43-3

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General Information

  • CAS No. 38275-43-3
  • Cat. No. CS-W010962
  • Purity ≥97%
  • MDL No. MFCD11046326
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅N₃S
  • Molecular Weight 151.19
  • Synonym(s) 2-Methylsulfanylpyrimidine-5-carbonitrile
  • SMILES CSC1=NC=C(C=N1)C#N

Description

2-(Methylthio)pyrimidine-5-carbonitrile features a pyrimidine core bearing a methylthio group at the 2-position and a nitrile at the 5-position, offering a robust scaffold for medicinal chemistry. The electron-deficient pyrimidine ring pairs with the polarizable sulfur-containing substituent to enable diverse coupling reactions and enhance target binding affinity in kinase inhibitor design. This compound exhibits bench-stable handling characteristics and integrates readily into multi-step synthetic sequences under standard conditions.

Application

2-(Methylthio)pyrimidine-5-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrimidine-based scaffolds. Its methylthio and cyano groups offer orthogonal reactivity for nucleophilic substitution, transition-metal-catalyzed coupling, and heterocycle elaboration. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis and API development workflows.

Safety Information

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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   49.57
  • LogP   1.07018
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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