HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3865645Erstellt: 1. November 2026
ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
https://huagongshe.com/de/chemical/3865645
Identifikatoren & physikalische Daten
| CAS No. | 733030-80-3 |
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| Summenformel | C12H13ClN2O3S |
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| Durchschnittliche Molmasse | 300,76 g/mol |
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| Monoisotopische Masse | 300,0335411 g/mol |
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| SMILES | CCOC(=O)c1sc2nc(C(C)Cl)[nH]c(=O)c2c1C |
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| InChIKey | CDMCPVASTXPGJI-UHFFFAOYSA-N |
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| PubChem CID | 3865645 |
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| EC No. | 113-069-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
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| Polarare Oberfläche (TPSA) | 96 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 429 |
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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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![Molekülstruktur von ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate](/img/chemical/3865645.png)