Identifikatoren & physikalische Daten
| CAS No. | 6539-14-6 |
|---|
| Summenformel | C4H7NS |
|---|
| Durchschnittliche Molmasse | 101,17 g/mol |
|---|
| Monoisotopische Masse | 101,02992022 g/mol |
|---|
| SMILES | N=C1CCCS1 |
|---|
| InChIKey | CNHYKKNIIGEXAY-UHFFFAOYSA-N |
|---|
| PubChem CID | 433941 |
|---|
| EC No. | 691-635-8 |
|---|
| DTXSID | DTXSID30984006 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|
| Polarare Oberfläche (TPSA) | 49,2 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 6 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 69,9 |
|---|
| Siedepunkt | 142.6±23.0 °C(Predicted) |
|---|
| Dichte | 1.27±0.1 g/cm3(Predicted) |
|---|
| pKa (Säurekonstante) | 7.43±0.20(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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Zollcode | 2928009090 |
|---|
