HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 853539Erstellt: 3. November 2026
1-(4-Aminophenyl)-4-phenyl-1H-imidazole-2-thiol
1-(4-Aminophenyl)-4-phenyl-1H-imidazole-2-thiol · 2H-Imidazole-2-thione, 1-(4-aminophenyl)-1,3-dihydro-4-phenyl-
https://huagongshe.com/de/chemical/853539
Identifikatoren & physikalische Daten
| CAS No. | 380340-30-7 |
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| Summenformel | C15H13N3S |
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| Durchschnittliche Molmasse | 267,4 g/mol |
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| Monoisotopische Masse | 267,0830186 g/mol |
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| SMILES | Nc1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1 |
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| InChIKey | ZSXPZXNNLLYIBO-UHFFFAOYSA-N |
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| PubChem CID | 853539 |
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| ChEMBL | CHEMBL1439699 |
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| EC No. | 119-272-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 73,4 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 366 |
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| Löslichkeit | 12.6 [ug/mL] (The mean of the results at pH 7.4) |
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| Siedepunkt | 474.036±55.00 °C(Press: 760.00 Torr)(predicted) |
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| Dichte | 1.360±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
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| pKa (Säurekonstante) | 11.631±0.70(predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, 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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