HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,5-Dihydro-2-(methylthio)thiazol
2-(Methylthio)thiazoline · 2-(Methylthio)-2-thiazoline · 2-Thiazoline, 2-(methylthio)- · 2-(Methylthio)-2-thiazoline>2-(METHYLMERCAPTO)-2-THIAZOLINE · 2-(Methylsulfanyl)-1,3-thiazole · 2-(Methylthio)-2-thiazoline 97% · 2-(METHYLTHIO)-2-THIAZOLINE 99+% · 4,5-dihydro-2-(methylthio)thiazole
Identifikatoren & physikalische Daten
| CAS No. | 19975-56-5 |
|---|---|
| Summenformel | C4H7NS2 |
| Durchschnittliche Molmasse | 133,2 g/mol |
| Monoisotopische Masse | 133,00199122 g/mol |
| SMILES | CSC1=NCCS1 |
| InChIKey | QFGRBBWYHIYNIB-UHFFFAOYSA-N |
| PubChem CID | 88324 |
| EC No. | 243-447-9 |
| DTXSID | DTXSID50173773 |
| Lokaler Name | 4,5-Dihydro-2-(methylthio)thiazol |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 63 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 89,7 |
| Siedepunkt | 216-217 °C (lit.) |
| Dichte | 1.226 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.592(lit.) |
| Flammpunkt | 208 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 4.74±0.10(Predicted) |
| Farbe | Colorless to Light yellow |
| BRN | 106353 |
| InChI | 1S/C4H7NS2/c1-6-4-5-2-3-7-4/h2-3H2,1H3 |
| InChIKey | QFGRBBWYHIYNIB-UHFFFAOYSA-N |
| SMILES | CSC1=NCCS1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| F | 8-9-13 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3334 |
| Zollcode | 29341000 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-(Methylthio)-2-thiazoline has been used in the preparation of:novel tri- and tetracyclic hetero systems, via reaction with heteroaromatic 2-aminoesters2-(2-chlorobenzylamino)-2-thiazoline