Description
3-(2-Ethylhexyl)-2-thioxo-1,3-thiazolidin-4-one (CAS No. 100400-44-0) is a specialized organic compound with the molecular formula C11H19NOS2. This thiazolidinone derivative features a 2-ethylhexyl substituent and a thioxo functional group, making it a valuable intermediate in synthetic organic chemistry and materials science. With a purity suitable for research applications, this compound is ideal for studies in heterocyclic chemistry, pharmaceutical development, and agrochemical synthesis. It is supplied as a high-quality solid with detailed technical specifications, including NMR and HPLC data, to ensure reproducibility in experimental workflows. Proper storage under inert conditions is recommended to maintain stability.
Properties
- CAS Number: 100400-44-0
- Complexity: 243
- IUPAC Name: 3-(2-ethylhexyl)-2-thioxo-thiazolidin-4-one
- InChI: InChI=1S/C11H19NOS2/c1-3-5-6-9(4-2)7-12-10(13)8-15-11(12)14/h9H,3-8H2,1-2H3
- InChI Key: OZBSCMAKAAMRRB-UHFFFAOYSA-N
- Exact Mass: 245.09080658
- Molecular Formula: C11H19NOS2
- Molecular Weight: 245.4
- SMILES: CCCCC(CC)CN1C(=O)CSC1=S
- Topological: 77.7
- Monoisotopic Mass: 245.09080658
- Synonyms: 3-(2-ethylhexyl)-2-thioxo-1,3-thiazolidin-4-one, 100400-44-0, 3-(2-ethylhexyl)-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(2-Ethylhexyl)-2-thioxothiazolidin-4-one, STL457121, AKOS016358025
Application
3-(2-Ethylhexyl)-2-thioxo-1,3-thiazolidin-4-one is primarily used as a building block in the synthesis of heterocyclic compounds with potential biological activity. Researchers employ this compound in the development of novel pharmaceuticals, particularly for antimicrobial and anti-inflammatory agents. Its unique structure also makes it a candidate for studying structure-activity relationships in medicinal chemistry.
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