Identifikatoren & physikalische Daten
| CAS No. | 27470-61-7 |
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| Summenformel | C11H8N2O2S |
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| Durchschnittliche Molmasse | 232,26 g/mol |
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| Monoisotopische Masse | 232,0306485 g/mol |
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| SMILES | O=C1NC(=S)NC(=O)C1=Cc1ccccc1 |
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| InChIKey | TXGVDOCEVWJSPR-UHFFFAOYSA-N |
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| PubChem CID | 708284 |
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| ChEMBL | CHEMBL256700 |
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| EC No. | 688-724-9 |
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| DTXSID | DTXSID10950163 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 90,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 348 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, 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. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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