HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4637539Erstellt: 3. November 2026
2-((4-Allyl-5-((phenylsulfanyl)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3-methoxyphenyl)acetamide
https://huagongshe.com/de/chemical/4637539
Identifikatoren & physikalische Daten
| CAS No. | 538337-38-1 |
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| Summenformel | C21H22N4O2S2 |
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| Durchschnittliche Molmasse | 426,6 g/mol |
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| Monoisotopische Masse | 426,1184183 g/mol |
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| SMILES | C=CCn1c(CSc2ccccc2)nnc1SCC(=O)Nc1cccc(OC)c1 |
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| InChIKey | UQZKQMWJBXBVIU-UHFFFAOYSA-N |
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| PubChem CID | 4637539 |
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| EC No. | 644-846-4 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
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| Polarare Oberfläche (TPSA) | 120 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 10 |
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| Schwere Atome | 29 |
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| Formalladung | 0 |
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| Komplexität | 519 |
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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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