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Thiazolidin-2,4-dion
THIAZOLIDINE-2,4-DIONE · TZD · Thiazolidinedione · 2,4-Thiazolidindione · U 25560 · idinedione · usafek-5496 · 2,4-ThiazoL
Identifikatoren & physikalische Daten
| CAS No. | 2295-31-0 |
|---|---|
| Summenformel | C3H3NO2S |
| Durchschnittliche Molmasse | 117,13 g/mol |
| Monoisotopische Masse | 116,98844934 g/mol |
| SMILES | O=C1CSC(=O)N1 |
| InChIKey | ZOBPZXTWZATXDG-UHFFFAOYSA-N |
| PubChem CID | 5437 |
| ChEMBL | CHEMBL85398 |
| ChEBI | CHEBI:50992 |
| EC No. | 218-941-2 |
| DTXSID | DTXSID5040623 |
| Lokaler Name | Thiazolidin-2,4-dion |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 122 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 125-127 °C (lit.) |
| Siedepunkt | 178-179 °C (19 mmHg) |
| Dichte | 1.408 (estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.5130 (estimate) |
| Flammpunkt | 178-179°C/19mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Soluble in water (30 mg/ml at 3°C), methanol, DMSO, ethanol, and ethyl ether. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 6.50±0.10(Predicted) |
| Farbe | Slightly yellow |
| BRN | 110700 |
| InChI | 1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6) |
| InChIKey | ZOBPZXTWZATXDG-UHFFFAOYSA-N |
| SMILES | O=C1CSC(=O)N1 |
| LogP (Verteilungskoeffizient) | -0.29 at 25℃ |
| CAS Datenbank | 2295-31-0(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4-Thiazolidinedione(2295-31-0) |
| EPA chemische Informationen | 2,4-Thiazolidinedione (2295-31-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 15.4% (2 of 13) of reports.WarningH302 (53.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 13 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 01-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19571 |
| Hazard Classes and Categories | Acute Tox. 4 (53.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29341000 |
| RTECS-Nr. | XJ5775000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,4-Thiazolidinedione may be used in the synthesis of sixteen 5-arylidene-2,4-thiazolidinediones, via ultrasound-promoted aldol condensation reaction. It may be used as starting material for the synthesis of drugs with antihyperglycemic activity.