HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 20790Erstellt: 27. Oktober 2026
2-(2-Benzothiazolylthio)ethanol
hmbt · 2-(2-hydroxyethylmercapto)benzothiazole · 2-(1,3-benzothiazol-2-ylsulfanyl)ethanol · 2-(2-Benzothiazolylthio)ethanol · 2-(2-BENZOTHIAZOLYLTHIOL)ETHANOL · 2-(Benzothiazole-2-ylthio)ethanol · Ethanol, 2-(2-benzothiazolylthio)- · 2-(2-Hydroxyethylthio)benzothiazole
https://huagongshe.com/de/chemical/20790
Identifikatoren & physikalische Daten
| CAS No. | 4665-63-8 |
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| Summenformel | C9H9NOS2 |
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| Durchschnittliche Molmasse | 211,3 g/mol |
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| Monoisotopische Masse | 211,01255591 g/mol |
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| SMILES | OCCSc1nc2ccccc2s1 |
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| InChIKey | PYNOHHMFQYUSDD-UHFFFAOYSA-N |
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| PubChem CID | 20790 |
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| EC No. | 625-976-0 |
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| DTXSID | DTXSID00196896 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 86,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 168 |
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| Schmelzpunkt | 50-55 °C(lit.) |
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| Siedepunkt | 378.4±44.0 °C(Predicted) |
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| Dichte | 1.39±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 14.20±0.10(Predicted) |
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| InChI | 1S/C9H9NOS2/c11-5-6-12-9-10-7-3-1-2-4-8(7)13-9/h1-4,11H,5-6H2 |
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| InChIKey | PYNOHHMFQYUSDD-UHFFFAOYSA-N |
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| SMILES | OCCSc1nc2ccccc2s1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 39 reports by companies from 2 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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| Wassergefährdungsklasse (WGK) | 3 |
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| RTECS-Nr. | DL4900000 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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