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CS-W001157 4
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Ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate

  • CAS No. 76162-56-6

  • Cat. No. CS-0042201
  • Purity≥97%
  • MDL No.MFCD22201205

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

Ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate|CS-0042201

Structure of 76162-56-6

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General Information

  • CAS No. 76162-56-6
  • Cat. No. CS-0042201
  • Purity ≥97%
  • MDL No. MFCD22201205
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O₂S
  • Molecular Weight 172.20
  • Synonym(s) 3-Methyl-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester
  • SMILES O=C(C1=NC(C)=NS1)OCC

Description

Ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate features a stable thiadiazole core with a methyl group at the 3-position and an ethyl ester at the 5-position. This electron-deficient heterocycle serves as a key scaffold for synthesizing bioactive molecules, particularly in medicinal chemistry and agrochemical development. The ester functionality enables straightforward derivatization under standard conditions.

Application

Ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to functionalized 1,2,4-thiadiazole scaffolds. Its stable ethyl ester group facilitates straightforward derivatization via hydrolysis or nucleophilic substitution, while the electron-deficient thiadiazole ring supports diverse coupling reactions and metal-catalyzed transformations. The methyl substituent enhances solubility and stability, making it well-suited for bench-scale applications in medicinal chemistry and agrochemical development.

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   52.08
  • LogP   1.02322
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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