HuagongsheHuagongshe Chemistry Print Report · For research reference only
S-(Tetrahydro-1,1-dioxido-3-thienyl) ethanethioate
S-(1,1-Dioxothiolan-3-yl) ethanethioate · S-(1,1-dioxidotetrahydrothiophen-3-yl) ethanethioate · Ethanethioic acid, S-(tetrahydro-1,1-dioxido-3-thienyl) ester

Identifiers & Physical Properties
| CAS No. | 201990-25-2 |
|---|---|
| Molecular formula | C6H10O3S2 |
| Average molar mass | 194.3 g/mol |
| Monoisotopic mass | 194.00713618 g/mol |
| SMILES | CC(=O)SC1CCS(=O)(=O)C1 |
| InChIKey | XPQLUHYRXBWTNL-UHFFFAOYSA-N |
| PubChem CID | 5140745 |
| DTXSID | DTXSID201228776 |
Chemical & Physical Properties
| XLogP | 0.2 |
|---|---|
| Topological polar surface area | 84.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 249 |
| Boiling point | 391.5±31.0 °C(Predicted) |
| Density | 1.37±0.1 g/cm3(Predicted) |