HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2139131Erstellt: 1. November 2026
2-((3Z)-3-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL)-N-(2-fluorophenyl)acetamide
https://huagongshe.com/de/chemical/2139131
Identifikatoren & physikalische Daten
| CAS No. | 617698-53-0 |
|---|
| Summenformel | C22H16FN3O3S2 |
|---|
| Durchschnittliche Molmasse | 453,5 g/mol |
|---|
| Monoisotopische Masse | 453,06171189 g/mol |
|---|
| SMILES | C=CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S |
|---|
| InChIKey | UYJXFCRZSUSJOU-HNENSFHCSA-N |
|---|
| PubChem CID | 2139131 |
|---|
| EC No. | 638-636-1 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|
| Polarare Oberfläche (TPSA) | 127 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 6 |
|---|
| Frei drehbare Bindungen | 5 |
|---|
| Schwere Atome | 31 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 846 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
|---|
