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HCID 253Erstellt: 2. November 2026
5-(2-oxo-hexahydro-1H-thieno(3,4-d)imidazolidin-4-yl)pentanoic acid
1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo- · 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid
https://huagongshe.com/de/chemical/253
Identifikatoren & physikalische Daten
| CAS No. | 5652-41-5 |
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| Summenformel | C10H16N2O3S |
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| Durchschnittliche Molmasse | 244,31 g/mol |
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| Monoisotopische Masse | 244,08816355 g/mol |
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| SMILES | O=C(O)CCCCC1SCC2NC(=O)NC21 |
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| InChIKey | YBJHBAHKTGYVGT-UHFFFAOYSA-N |
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| PubChem CID | 253 |
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| ChEMBL | CHEMBL1527083 |
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| ChEBI | CHEBI:95156 |
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| EC No. | 840-986-7 |
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| DTXSID | DTXSID00859030 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
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| Polarare Oberfläche (TPSA) | 104 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 298 |
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| Arzneimittel | Pharmaceuticals |
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| SpringerMaterials Properties | Chemical shift |
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| Siedepunkt | 573.6±35.0 °C(Predicted) |
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| Dichte | 1.267±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 4.74±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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