HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 89621Erstellt: 31. Oktober 2026
2-(Phenylthio)chinolin
2-(phenylthio)-quinolin · 2-(Phenylthio)quinoline · 2-phenylsulfanylquinoline · Quinoline, 2-(phenylthio)- · 2-(Phenylthio)quinoline,98%
https://huagongshe.com/de/chemical/89621
Identifikatoren & physikalische Daten
| CAS No. | 22190-12-1 |
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| Summenformel | C15H11NS |
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| Durchschnittliche Molmasse | 237,32 g/mol |
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| Monoisotopische Masse | 237,06122053 g/mol |
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| SMILES | c1ccc(Sc2ccc3ccccc3n2)cc1 |
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| InChIKey | BCOSVBKPHCKEII-UHFFFAOYSA-N |
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| PubChem CID | 89621 |
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| ChEMBL | CHEMBL1644331 |
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| EC No. | 244-828-2 |
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| DTXSID | DTXSID3066768 |
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| Lokaler Name | 2-(Phenylthio)chinolin |
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Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
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| Polarare Oberfläche (TPSA) | 38,2 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 237 |
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| LogP (Verteilungskoeffizient) | 3.92 |
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| Schmelzpunkt | 48 °C |
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| Siedepunkt | 164-166 °C(Press: 0.6 Torr) |
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| Dichte | 1.1568 (rough estimate) |
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| Brechungsindex | 1.5300 (estimate) |
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| pKa (Säurekonstante) | 2.97±0.48(Predicted) |
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| EPA chemische Informationen | Quinoline, 2-(phenylthio)- (22190-12-1) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29334990 |
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| Sicherheitshinweise (S) | 24/25 |
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