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2-Mercapto-4,6-dimethylnicotinonitrile

  • CAS No. 54585-47-6

  • Cat. No. CS-0117759
  • Purity≥98%
  • MDL No.MFCD00051684
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    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

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

2-Mercapto-4,6-dimethylnicotinonitrile|CS-0117759

Structure of 54585-47-6

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Description

2-Mercapto-4,6-dimethylnicotinonitrile features a reactive thiol group flanked by electron-deficient nitrile and methyl substituents, enabling direct incorporation into heterocyclic scaffolds. This bench-stable building block facilitates efficient synthesis of bioactive nitrogen-containing compounds through nucleophilic addition or metal-catalyzed coupling.

Application

2-Mercapto-4,6-dimethylnicotinonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridine scaffolds via nucleophilic displacement and cyclization reactions. The thiol group facilitates metal-catalyzed coupling processes, while the nitrile and methyl functionalities provide orthogonal reactivity for downstream functionalization. Its bench-stable crystalline form supports straightforward handling and purification, making it well-suited for iterative medicinal chemistry campaigns and process-scale applications.

General Information

  • CAS No. 54585-47-6
  • Cat. No. CS-0117759
  • Purity ≥98%
  • MDL No. MFCD00051684
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂S
  • Molecular Weight 164.23
  • Synonym(s) None
  • SMILES N#CC1=C(C)C=C(C)NC1=S

Computational Chemistry Data

  • TPSA   39.58
  • LogP   2.23271
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2923
Class : 8,6.1
Packing Group :
Hazard Statements : H301-H318
Precautionary Statements : P264-P270-P280-P330-P405-P501

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