Identifikatoren & physikalische Daten
| CAS No. | 2756-91-4 |
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| Summenformel | C4H7NO2S |
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| Durchschnittliche Molmasse | 133,17 g/mol |
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| SMILES | O=C(O)[C@@H]1CSCN1 |
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| InChIKey | DZLNHFMRPBPULJ-VKHMYHEASA-N |
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| PubChem CID | 93176 |
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| ChEMBL | CHEMBL1235440 |
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| ChEBI | CHEBI:45171 |
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| EC No. | 252-106-3 |
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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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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (74%): 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, P317, 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 104 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 18-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/335314-Thiazolidinecarboxylic acid, (4R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Acute Tox. 3 (74%) |
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