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CS-W001157 4
Total: USD 88.00

4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile

  • CAS No. 33089-15-5

  • Cat. No. CS-W019038
  • Purity≥97%
  • MDL No.MFCD00507261

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

4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile|CS-W019038

Structure of 33089-15-5

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General Information

  • CAS No. 33089-15-5
  • Cat. No. CS-W019038
  • Purity ≥97%
  • MDL No. MFCD00507261
  • Storage -20°C, stored under nitrogen, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄ClN₃S
  • Molecular Weight None
  • Synonym(s) 5-Pyrimidinecarbonitrile, 4-chloro-2-(methylthio)-
  • SMILES N#CC1=CN=C(SC)N=C1Cl

Description

4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile is a heterocyclic building block featuring a chlorinated pyrimidine core with orthogonal functional handles: a methylthio group and a nitrile moiety. This combination enables selective derivatization in medicinal chemistry, particularly for kinase inhibitors and nucleoside analogs. The molecule exhibits enhanced stability under standard bench conditions and facilitates efficient coupling reactions via the carbonitrile or halogen sites.

Application

4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its orthogonal functional groups—chloride, methylthio, and nitrile—facilitate sequential transformations via nucleophilic substitution, cross-coupling, and cyanide derivatization. The compound exhibits excellent bench stability and is compatible with standard reaction conditions, simplifying purification and scale-up in API synthesis workflows.

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   49.57
  • LogP   1.72358
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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