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HCID 663183Erstellt: 2. November 2026
3-((2-Methylbenzyl)thio)-5-(2-pyridinyl)-4H-1,2,4-triazol-4-ylamine
SALOR-INT L405302-1EA · 3-((2-METHYLBENZYL)THIO)-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-YLAMINE · 4H-1,2,4-Triazol-4-amine, 3-[[(2-methylphenyl)methyl]thio]-5-(2-pyridinyl)-
https://huagongshe.com/de/chemical/663183
Identifikatoren & physikalische Daten
| CAS No. | 585558-97-0 |
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| Summenformel | C15H15N5S |
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| Durchschnittliche Molmasse | 297,4 g/mol |
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| Monoisotopische Masse | 297,10481667 g/mol |
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| SMILES | Cc1ccccc1CSc1nnc(-c2ccccn2)n1N |
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| InChIKey | IGKRFCFNSXWYKI-UHFFFAOYSA-N |
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| PubChem CID | 663183 |
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| ChEMBL | CHEMBL1439150 |
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| EC No. | 643-376-7 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 94,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 329 |
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| Siedepunkt | 556.8±52.0 °C(Predicted) |
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| Dichte | 1.32±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 0.47±0.10(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 39 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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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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