HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 720882Erstellt: 26. Oktober 2026
5-Acetyl-2-amino-4-methylthiazole
5-Acetyl-4-methyl-2-thiazolamine · 1-(2-amino-4-methylthiazol-5-yl)ethan-1-one · AURORA 8418 · AKOS BBS-00007949 · TIMTEC-BB SBB010095 · IFLAB-BB F0060-0057 · ASINEX-REAG BAS 00393372 · 5-Acetyl-2-amino-4-methylthia
https://huagongshe.com/de/chemical/720882
Identifikatoren & physikalische Daten
| CAS No. | 30748-47-1 |
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| Summenformel | C6H8N2OS |
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| Durchschnittliche Molmasse | 156,21 g/mol |
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| Monoisotopische Masse | 156,03573388 g/mol |
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| SMILES | CC(=O)c1sc(N)nc1C |
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| InChIKey | PKUKCASRNJIQNU-UHFFFAOYSA-N |
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| PubChem CID | 720882 |
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| ChEMBL | CHEMBL1321842 |
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| EC No. | 626-871-2 |
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| DTXSID | DTXSID30352180 |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 84,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 151 |
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| Schmelzpunkt | 268-272 °C (dec.) (lit.) |
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| Siedepunkt | 312.8±22.0 °C(Predicted) |
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| Dichte | 1.278±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| pKa (Säurekonstante) | 3.58±0.10(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Orange to Green |
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| Löslichkeit | Insoluble |
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| BRN | 127111 |
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| InChI | InChI=1S/C6H8N2OS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3,(H2,7,8) |
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| InChIKey | PKUKCASRNJIQNU-UHFFFAOYSA-N |
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| SMILES | C(=O)(C1SC(N)=NC=1C)C |
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| CAS Datenbank | 30748-47-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (10.9%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 2811 |
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| Zollcode | 29341000 |
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| R-Sätze (R) | 36/37/38-22 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 36/37/39-26-36/37 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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