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CS-W001157 4
Total: USD 88.00

Ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate

  • CAS No. 64837-49-6

  • Cat. No. CS-W003778
  • Purity≥96%
  • MDL No.MFCD11112114

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

Ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate|CS-W003778

Structure of 64837-49-6

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General Information

  • CAS No. 64837-49-6
  • Cat. No. CS-W003778
  • Purity ≥96%
  • MDL No. MFCD11112114
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅ClN₂O₂S
  • Molecular Weight 192.62
  • Synonym(s) 1,3,4-thiadiazole-2-carboxylic acid, 5-chloro-, ethyl ester
  • SMILES CCOC(=O)c1nnc(s1)Cl

Description

Ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate features a chlorinated thiadiazole core that imparts enhanced electrophilicity and stability under standard conditions. This bench-stable reagent integrates readily into heterocyclic synthesis, serving as a key scaffold for medicinal chemistry applications.

Application

Ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to functionalized thiadiazole scaffolds. Its chloro substituent facilitates nucleophilic substitution reactions, while the ester group supports further transformations such as hydrolysis or coupling. The molecule exhibits good bench stability and is compatible with standard reaction conditions, making it valuable for medicinal chemistry and materials science 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 : 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   1.3682
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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