HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 448652Erstellt: 3. November 2026
4-Hydroxy-1,2,5-Thiadiazole-3-Carboxylic Acid
4-Hydroxy-1,2,5-thiadiazole-3-carboxylic acid · 1,2,5-Thiadiazole-3-carboxylic acid, 4,5-dihydro-4-oxo- · 1,2,5-Thiadiazole-3-carboxylicacid,4,5-dihydro-4-oxo-(9CI)
https://huagongshe.com/de/chemical/448652
Identifikatoren & physikalische Daten
| CAS No. | 45654-48-6 |
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| Summenformel | C3H2N2O3S |
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| Durchschnittliche Molmasse | 146,13 g/mol |
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| Monoisotopische Masse | 145,9786131 g/mol |
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| SMILES | O=C(O)c1ns[nH]c1=O |
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| InChIKey | FVZITYNLUYJDOE-UHFFFAOYSA-N |
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| PubChem CID | 448652 |
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| ChEMBL | CHEMBL1232973 |
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| EC No. | 841-924-1 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 104 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 199 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Schmelzpunkt | 204-205 °C |
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| Dichte | 2.15±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 7.72±0.20(Predicted) |
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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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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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