Identifikatoren & physikalische Daten
| CAS No. | 105337-75-5 |
|---|
| Summenformel | C12H16OS |
|---|
| Durchschnittliche Molmasse | 208,32 g/mol |
|---|
| Monoisotopische Masse | 208,0921863 g/mol |
|---|
| SMILES | CC(=O)c1cc(C)ccc1SC(C)C |
|---|
| InChIKey | TVLOQTFJDWXADR-UHFFFAOYSA-N |
|---|
| PubChem CID | 82265049 |
|---|
| EC No. | 892-012-5 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|
| Polarare Oberfläche (TPSA) | 42,4 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 14 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 200 |
|---|
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, P317, P319, P321, P330, 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 | Acute Tox. 4 (100%) |
|---|
