HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3690900Erstellt: 2. November 2026
Isopropyl [(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-YL)sulfanyl]acetate
https://huagongshe.com/de/chemical/3690900
Identifikatoren & physikalische Daten
| CAS No. | 577983-11-0 |
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| Summenformel | C16H20N2O3S2 |
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| Durchschnittliche Molmasse | 352,5 g/mol |
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| Monoisotopische Masse | 352,09153485 g/mol |
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| SMILES | CC(C)OC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 |
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| InChIKey | ODJSXSSYISCKLF-UHFFFAOYSA-N |
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| PubChem CID | 3690900 |
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| EC No. | 142-862-1 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
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| Polarare Oberfläche (TPSA) | 113 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 23 |
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| Formalladung | 0 |
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| Komplexität | 523 |
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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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![Molekülstruktur von Isopropyl [(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-YL)sulfanyl]acetate](/img/chemical/3690900.png)