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CS-W001157 4
Total: USD 88.00

4-Chloro-1,2,5-thiadiazole-3-carboxylic acid

  • CAS No. 5097-44-9

  • Cat. No. CS-0101209
  • Purity≥98%
  • MDL No.None

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

4-Chloro-1,2,5-thiadiazole-3-carboxylic acid|CS-0101209

Structure of 5097-44-9

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General Information

  • CAS No. 5097-44-9
  • Cat. No. CS-0101209
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃HClN₂O₂S
  • Molecular Weight 164.57
  • Synonym(s) None
  • SMILES O=C(C1=NSN=C1Cl)O

Description

4-Chloro-1,2,5-thiadiazole-3-carboxylic acid is a bench-stable heterocyclic building block featuring a chlorine substituent at the 4-position and a carboxylic acid group at the 3-position. This combination enables direct coupling reactions and facilitates incorporation into bioactive scaffolds, particularly in medicinal chemistry and agrochemical development.

Application

4-Chloro-1,2,5-thiadiazole-3-carboxylic acid serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its electrophilic chlorine at the 4-position enables facile nucleophilic substitution, facilitating the installation of diverse aryl, alkyl, or amine functionalities. The carboxylic acid group provides a handle for amidation, esterification, or coupling reactions, supporting integration into complex scaffolds. Bench-stable and readily purified, it functions effectively in standard synthetic workflows requiring functionalized 1,2,5-thiadiazoles.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.08
  • LogP   0.8897
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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