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CS-W001157 4
Total: USD 88.00

2,4-Dichloro-5-(methylthio)pyrimidine

  • CAS No. 7401-98-1

  • Cat. No. CS-0045705
  • Purity≥95%
  • MDL No.MFCD22199809

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

2,4-Dichloro-5-(methylthio)pyrimidine|CS-0045705

Structure of 7401-98-1

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General Information

  • CAS No. 7401-98-1
  • Cat. No. CS-0045705
  • Purity ≥95%
  • MDL No. MFCD22199809
  • Storage -20°C, stored under nitrogen, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄Cl₂N₂S
  • Molecular Weight 195.07
  • Synonym(s) 2,4-Dichloro-5-(methylsulfanyl)pyrimidine
  • SMILES CSC1=CN=C(Cl)N=C1Cl

Description

2,4-Dichloro-5-(methylthio)pyrimidine serves as a key heterocyclic scaffold in medicinal chemistry, featuring two chlorine substituents at electron-rich positions and a methylthio group that enhances lipophilicity and metabolic stability. This combination enables efficient coupling in cross-coupling reactions, facilitating rapid access to complex pyrimidine derivatives for drug discovery applications.

Application

2,4-Dichloro-5-(methylthio)pyrimidine serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrimidines via nucleophilic displacement. The dichloro functionality facilitates sequential functionalization at C2 and C4 positions, while the methylthio group offers a stable, orthogonal handle for further modification. Its bench-stable nature and compatibility with standard coupling conditions make it well-suited for medicinal chemistry campaigns and API intermediate development.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P305+P351+P338-P330-P501

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   2.5053
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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