Description

2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2,4-triazolidine-3-thione (CAS No. 222408-90-4) is a specialized organic compound with the molecular formula C₁₄H₁₇Cl₂N₃OS. This high-purity chemical features a unique triazolidine-thione backbone coupled with chlorinated cyclopropyl and phenyl groups, making it a valuable intermediate for pharmaceutical and agrochemical research. Its structural complexity allows for versatile reactivity in synthetic pathways, particularly in the development of biologically active molecules. The compound is supplied as a fine powder with ≥95% purity (HPLC), ensuring consistency for laboratory use. Store in a cool, dry place under inert conditions to maintain stability. Suitable for researchers exploring novel heterocyclic compounds, enzyme inhibitors, or small-molecule modulators.

Properties

• CAS Number: 222408-90-4
• Complexity: 421
• IUPAC Name: 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxy-propyl]-1,2,4-triazolidine-3-thione
• InChI: InChI=1S/C14H17Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,18,20H,5-9H2,(H,17,21)
• InChI Key: PCARSQBZDYOIPU-UHFFFAOYSA-N
• Exact Mass: 345.0469387
• Molecular Formula: C14H17Cl2N3OS
• Molecular Weight: 346.3
• SMILES: C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)NCN3)O)Cl
• Topological: 79.6
• Monoisotopic Mass: 345.0469387
• Synonyms: 222408-90-4, 2-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1,2,4-triazolidine-3-thione, 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2,4-triazolidine-3-thione, DTXSID20904839, EC 606-964-4, DTXCID801333955, 606-964-4, 1,2,4-Triazolidine-3-thione, 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-, SCHEMBL19779646, NS00002079

Application

This compound serves as a key intermediate in medicinal chemistry for the synthesis of potential therapeutic agents targeting infectious diseases or metabolic disorders. Researchers may utilize its reactive functional groups to develop novel triazolidine-based inhibitors for enzymatic studies. Its chlorinated aromatic and cyclopropyl moieties make it a candidate for structure-activity relationship (SAR) investigations in drug discovery programs. The thione group offers chelation potential for metal-binding studies in bioinorganic chemistry applications.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.