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CS-W001157 4
Total: USD 88.00

2-(Methylthio)-5-nitropyrimidine

  • CAS No. 14001-70-8

  • Cat. No. CS-0045715
  • Purity≥98%
  • MDL No.None

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

2-(Methylthio)-5-nitropyrimidine|CS-0045715

Structure of 14001-70-8

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General Information

  • CAS No. 14001-70-8
  • Cat. No. CS-0045715
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃O₂S
  • Molecular Weight 171.18
  • Synonym(s) Pyrimidine, 2-(methylthio)-5-nitro- (8CI,9CI)
  • SMILES O=[N+](C1=CN=C(SC)N=C1)[O-]

Description

2-(Methylthio)-5-nitropyrimidine features a pyrimidine core bearing a methylthio group at C2 and a nitro substituent at C5, delivering a potent electron-deficient heterocyclic scaffold. This configuration enables direct functionalization in cross-coupling reactions and facilitates incorporation into bioactive molecules. The compound exhibits robust stability under standard bench conditions and demonstrates favorable solubility in common organic solvents, streamlining handling in synthetic workflows.

Application

2-(Methylthio)-5-nitropyrimidine serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C2 position via cross-coupling reactions. Its methylthio group provides orthogonal reactivity for sulfur-directed transformations, while the nitro functionality facilitates sequential reduction and cyclization pathways. The compound exhibits excellent bench stability and compatibility with standard reaction conditions, simplifying purification and scale-up in synthetic 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   68.92
  • LogP   1.1067
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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