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CS-W001157 4
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4-Methyl-1,2,3-thiadiazole-5-carboxylic acid

  • CAS No. 18212-21-0

  • Cat. No. CS-B1141
  • Purity≥97%
  • MDL No.MFCD00173830

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

4-Methyl-1,2,3-thiadiazole-5-carboxylic acid|CS-B1141

Structure of 18212-21-0

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General Information

  • CAS No. 18212-21-0
  • Cat. No. CS-B1141
  • Purity ≥97%
  • MDL No. MFCD00173830
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄N₂O₂S
  • Molecular Weight 144.15
  • Synonym(s) 4-methyl-1,2,3-thiadiazole-5-carboxylate
  • SMILES O=C(C1=C(C)N=NS1)O

Description

4-Methyl-1,2,3-thiadiazole-5-carboxylic acid features a fused heterocyclic core with dual electron-deficient sites, enabling robust coupling reactions. The methyl group enhances solubility and steric resilience, while the carboxylic acid moiety offers direct functionalization potential. This scaffold delivers stability under standard conditions and integrates readily into bioactive molecule design.

Application

4-Methyl-1,2,3-thiadiazole-5-carboxylic acid serves as a versatile heterocyclic building block in medicinal and process chemistry, enabling efficient access to bioactive scaffolds. Its carboxylic acid functionality facilitates direct coupling reactions, while the 1,2,3-thiadiazole ring provides metabolic stability and favorable electronic properties. The methyl substituent enhances solubility and modulates reactivity, supporting broad functional group tolerance. This compound functions reliably in standard amide formation, esterification, and transition metal-catalyzed transformations, making it well-suited for high-throughput synthesis and scale-up applications.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   63.08
  • LogP   0.54472
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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