HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Thiazolidinan
thiazinane · THIAMORPHOLINE · 1,4-Thiazane · TETRAHYDRO-2H-1,4-THIAZINE · ThiomorphoL · 1,4-Thiazan · Parathiazan · hiomorpholine
Identifikatoren & physikalische Daten
| CAS No. | 123-90-0 |
|---|---|
| Summenformel | C4H9NS |
| Durchschnittliche Molmasse | 103,19 g/mol |
| Monoisotopische Masse | 103,04557029 g/mol |
| SMILES | C1CSCCN1 |
| InChIKey | BRNULMACUQOKMR-UHFFFAOYSA-N |
| PubChem CID | 67164 |
| ChEMBL | CHEMBL2333141 |
| ChEBI | CHEBI:36392 |
| EC No. | 204-660-2 |
| DTXSID | DTXSID80153826 |
| Lokaler Name | Thiazolidinan |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 34,5 |
| SpringerMaterials Properties | Coriolis coupling |
| Dissociation Constants | 9 |
| Schmelzpunkt | 166-168 |
| Siedepunkt | 169 °C (lit.) |
| Dichte | 1.026 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.538(lit.) |
| Flammpunkt | 140 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | organic solvents: miscible(lit.)Miscible with waterMiscible with water and organic solvents. |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 9.14±0.20(Predicted) |
| Farbe | Colorless to Light yellow to Light orange |
| Merck | 14,9300 |
| BRN | 102550 |
| InChI | 1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2 |
| InChIKey | BRNULMACUQOKMR-UHFFFAOYSA-N |
| SMILES | C1CSCCN1 |
| CAS Datenbank | 123-90-0(CAS DataBase Reference) |
| NIST chemische Informationen | Thiomorpholine(123-90-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-13-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3267 8/PG 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 34-37-36/37/38-R37-R34 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-36-S45-S36/37/39-S26 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Thiomorpholine is used as an intermediate for blonanserin. It is used in the preparation of pyrrole derivatives, which acts as a antimycobacterial agent. It is further involved in the hypocholesterolemic activity.