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HCID 98614Erstellt: 26. Oktober 2026
5,6,7,8-Tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one
NSC 153324 · 4-Hydroxy-5,6-tetramethylenethieno[2,3-d]pyrimidine · 5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyriMidin-4-ol · 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyriMidin-4-one · 5,6,7,8-tetrahydro-3H-benzothiopheno[3,2-e]pyrimidin-4-one · 5,6,7,8-tetrahydro-3H-[1]benzothiolo[3,2-e]pyrimidin-4-one · 3-d)pyrimidin-4(1h)-one,5,6,7,8-tetrahydro-(1)benzothieno( · Benzothieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-
https://huagongshe.com/de/chemical/98614
Identifikatoren & physikalische Daten
| CAS No. | 14346-24-8 |
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| Summenformel | C10H10N2OS |
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| Durchschnittliche Molmasse | 206,27 g/mol |
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| Monoisotopische Masse | 206,05138394 g/mol |
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| SMILES | O=c1[nH]cnc2sc3c(c12)CCCC3 |
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| InChIKey | NMMOEJUJKIXUQZ-UHFFFAOYSA-N |
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| PubChem CID | 98614 |
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| ChEMBL | CHEMBL539906 |
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| EC No. | 674-841-2 |
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| DTXSID | DTXSID70162427 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 69,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 292 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Schmelzpunkt | 259-261℃ |
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| Siedepunkt | 439.0±55.0 °C(Predicted) |
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| Dichte | 1.59±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| pKa (Säurekonstante) | 1.53±0.20(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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 2933599590 |
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| Toxizität | mouse,LD,intraperitoneal,> 1gm/kg (1000mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 420, 1984. |
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