HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6859080Erstellt: 2. November 2026
4-((4-Methylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
https://huagongshe.com/de/chemical/6859080
Identifikatoren & physikalische Daten
| CAS No. | 478256-06-3 |
|---|
| Summenformel | C17H16N4S |
|---|
| Durchschnittliche Molmasse | 308,4 g/mol |
|---|
| Monoisotopische Masse | 308,1095677 g/mol |
|---|
| SMILES | Cc1ccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)cc1 |
|---|
| InChIKey | KDDRXBIUDMUQCA-WOJGMQOQSA-N |
|---|
| PubChem CID | 6859080 |
|---|
| EC No. | 646-922-2 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|
| Polarare Oberfläche (TPSA) | 72,1 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 22 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 465 |
|---|
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)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. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
