HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 665387Erstellt: 2. November 2026
5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4-ol · 5-thien-2-ylthieno[2,3-d]pyrimidin-4(3H)-one · Thieno[2,3-d]pyrimidin-4(1H)-one, 5-(2-thienyl)-
https://huagongshe.com/de/chemical/665387
Identifikatoren & physikalische Daten
| CAS No. | 215928-54-4 |
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| Summenformel | C10H6N2OS2 |
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| Durchschnittliche Molmasse | 234,3 g/mol |
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| Monoisotopische Masse | 233,99215517 g/mol |
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| SMILES | O=c1[nH]cnc2scc(-c3cccs3)c12 |
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| InChIKey | LFUBTAOTPHKKOS-UHFFFAOYSA-N |
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| PubChem CID | 665387 |
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| ChEMBL | CHEMBL559696 |
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| EC No. | 817-004-0 |
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| DTXSID | DTXSID701352213 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 97,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 308 |
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| LogP (Verteilungskoeffizient) | 2.18 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Zollcode | 2933599590 |
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![Molekülstruktur von 5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one](/img/chemical/665387.png)