Identifikatoren & physikalische Daten
| CAS No. | 4988-64-1 |
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| Summenformel | C10H12N4O4S |
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| Durchschnittliche Molmasse | 284,29 g/mol |
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| SMILES | OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O |
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| InChIKey | NKGPJODWTZCHGF-KQYNXXCUSA-N |
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| PubChem CID | 676166 |
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| ChEMBL | CHEMBL448290 |
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| EC No. | 209-371-5 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
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| Polarare Oberfläche (TPSA) | 144 |
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| H-Brücken-Donoren | 4 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 409 |
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| LogP (Verteilungskoeffizient) | -0.6 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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