HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 719331Erstellt: 3. November 2026
2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
https://huagongshe.com/de/chemical/719331
Identifikatoren & physikalische Daten
| CAS No. | 18199-82-1 |
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| Summenformel | C15H12N4O2S |
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| Durchschnittliche Molmasse | 312,3 g/mol |
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| Monoisotopische Masse | 312,06809681 g/mol |
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| SMILES | O=C(O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 |
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| InChIKey | FAJKCZYJDWBWAP-UHFFFAOYSA-N |
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| PubChem CID | 719331 |
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| EC No. | 172-247-3 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 106 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 373 |
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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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![Molekülstruktur von 2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid](/img/chemical/719331.png)