HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2393539Erstellt: 2. November 2026
4-Methyl-2-oxo-6-thia-1,8-diazatricyclo(7.5.0.0,3,7)tetradeca-3(7),4,8-triene-5-carboxylic acid
https://huagongshe.com/de/chemical/2393539
Identifikatoren & physikalische Daten
| CAS No. | 730949-92-5 |
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| Summenformel | C13H14N2O3S |
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| Durchschnittliche Molmasse | 278,33 g/mol |
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| Monoisotopische Masse | 278,07251349 g/mol |
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| SMILES | Cc1c(C(=O)O)sc2nc3n(c(=O)c12)CCCCC3 |
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| InChIKey | FZIUJIIOLSRWHE-UHFFFAOYSA-N |
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| PubChem CID | 2393539 |
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| ChEMBL | CHEMBL1326279 |
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| EC No. | 980-433-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 98,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 451 |
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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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