HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 5898511Erstellt: 3. November 2026
6-((5Z)-5-((2-((2-Furylmethyl)amino)-4-oxo-4H-pyrido(1,2-A)pyrimidin-3-Y L)methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)hexanoic acid
SALOR-INT L442208-1EA · 3-Thiazolidinehexanoic acid, 5-[[2-[(2-furanylmethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo- · 6-[(5Z)-5-((2-[(2-FURYLMETHYL)AMINO]-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL)METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]HEXANOIC ACID
https://huagongshe.com/de/chemical/5898511
Identifikatoren & physikalische Daten
| CAS No. | 617697-35-5 |
|---|
| Summenformel | C23H22N4O5S2 |
|---|
| Durchschnittliche Molmasse | 498,6 g/mol |
|---|
| Monoisotopische Masse | 498,10316216 g/mol |
|---|
| SMILES | O=C(O)CCCCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S |
|---|
| InChIKey | VXLQFCCUWRYGDS-LGMDPLHJSA-N |
|---|
| PubChem CID | 5898511 |
|---|
| EC No. | 644-444-9 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|
| Polarare Oberfläche (TPSA) | 173 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 9 |
|---|
| Frei drehbare Bindungen | 10 |
|---|
| Schwere Atome | 34 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 1.050 |
|---|
| Siedepunkt | 613.421±65.00 °C(Press: 760.00 Torr)(predicted) |
|---|
| Dichte | 1.474±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
|---|
| pKa (Säurekonstante) | 4.732±0.10(predicted) |
|---|
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. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Alarmwort | Warnung |
|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
|---|
