Identifikatoren & physikalische Daten
| CAS No. | 1071-37-0 |
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| Summenformel | C3H9BrN2S |
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| Durchschnittliche Molmasse | 185,09 g/mol |
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| SMILES | Br.CCSC(=N)N |
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| InChIKey | SWXXKWPYNMZFTE-UHFFFAOYSA-N |
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| PubChem CID | 200213 |
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| ChEMBL | CHEMBL1255945 |
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| EC No. | 689-042-4 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 75,2 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 52,8 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 2 reports by companies from 2 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. 3 (50%) |
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