HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 162292Erstellt: 26. Oktober 2026
5-Acetyl-4-methylthiazole
CYP2E1-IN-1 · 1-(4-Methylthiazol-5-yl) · 5-acetyl-4-methylthiazole · 4-Methyl-5-acetyl thiazole · 1-(4-methyl-5-thiazolyl)ethanone · 1-(4-Methylthiazol-5-yl)ethanone · Ethanone, 1-(4-methyl-5-thiazolyl)- · 1-(4-methylthiazol-5-yl)ethan-1-one
https://huagongshe.com/de/chemical/162292
Identifikatoren & physikalische Daten
| CAS No. | 38205-55-9 |
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| Summenformel | C6H7NOS |
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| Durchschnittliche Molmasse | 141,19 g/mol |
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| Monoisotopische Masse | 141,02483484 g/mol |
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| SMILES | CC(=O)c1scnc1C |
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| InChIKey | MBLHLRLBSIWLMG-UHFFFAOYSA-N |
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| PubChem CID | 162292 |
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| ChEBI | CHEBI:166503 |
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| EC No. | 830-045-9 |
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| DTXSID | DTXSID00191588 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 58,2 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 126 |
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| Arzneimittel | Pharmaceuticals -> Metabolite of Clomethiazole |
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| Schmelzpunkt | 28-29 °C |
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| Siedepunkt | 107-108 °C(Press: 13 Torr) |
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| Dichte | 1.177±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 1.25±0.10(Predicted) |
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| Geruch | at 0.01 % in propylene glycol. roasted nutty sulfurous |
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| Geruchsart | nutty |
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| LogP (Verteilungskoeffizient) | 0.350 (est) |
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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, 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 4 reports by companies from 3 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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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xn |
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