HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Tetramisol
Tetramizole · DL-tetramisole · 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole · Imidazo2,1-bthiazole, 2,3,5,6-tetrahydro-6-phenyl- · (+-)-2,3,5,6-tetrahydro-6-phenylimidazo(2,1-b)thiazole · 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
Identifikatoren & physikalische Daten
| CAS No. | 5036-02-2 |
|---|---|
| Summenformel | C11H12N2S |
| Durchschnittliche Molmasse | 204,29 g/mol |
| Monoisotopische Masse | 204,07211938 g/mol |
| SMILES | c1ccc(C2CN3CCSC3=N2)cc1 |
| InChIKey | HLFSDGLLUJUHTE-UHFFFAOYSA-N |
| PubChem CID | 3913 |
| ChEMBL | CHEMBL277775 |
| ChEBI | CHEBI:77278 |
| EC No. | 225-729-3 |
| DTXSID | DTXSID20860143 |
| Lokaler Name | Tetramisol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 246 |
| LogP (Verteilungskoeffizient) | 1.84 |
| Animal Drugs | Pharmaceuticals -> Animal Drugs -> Approved in Taiwan |
| Collision Cross Section | 144 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]142.11 Ų [M+H]+ [CCS Type: TW |
| Schmelzpunkt | 87-89° |
| Siedepunkt | 344.4±45.0 °C(Predicted) |
| Dichte | 1.32±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSOMethanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 10.00±0.40(Predicted) |
| Farbe | White (powder) |
| InChI | InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2 |
| InChIKey | HLFSDGLLUJUHTE-UHFFFAOYSA-N |
| SMILES | S1CCN2CC(C3=CC=CC=C3)N=C12 |
| EPA chemische Informationen | Tetramisole (5036-02-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.H302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Tetramisole: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-: Human health tier I assessment |
| Hazard Classes and Categories | Skin Sens. 1 (100%)Acute toxicity (Oral) - Category 4 |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
Tetramisol is an isolated intermediate in the synthesis of 4-Hydroxy-tetramisole (H595270), a metabolite of Tetramisole, an anthelmintic.