Identifikatoren & physikalische Daten
| CAS No. | 444-27-9 |
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| Summenformel | C4H7NO2S |
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| Durchschnittliche Molmasse | 133,17 g/mol |
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| SMILES | O=C(O)C1CSCN1 |
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| InChIKey | DZLNHFMRPBPULJ-UHFFFAOYSA-N |
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| PubChem CID | 9934 |
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| ChEMBL | CHEMBL1235440 |
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| ChEBI | CHEBI:64564 |
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| EC No. | 207-146-6 |
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Chemische & physikalische Eigenschaften
| XLogP | -2,3 |
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| Polarare Oberfläche (TPSA) | 74,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 106 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 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 | Acute Tox. 4 (97.7%) |
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