HuagongsheHuagongshe Chemistry Print Report · For research reference only
6,7-Dihydrobenzo[d]thiazol-5(4H)-one
5(4H)-Benzothiazolone, 6,7-dihydro-
![6,7-Dihydrobenzo[d]thiazol-5(4H)-one molecular structure](/img/chemical/178850737.png)
Identifiers & Physical Properties
| CAS No. | 70590-54-4 |
|---|---|
| Molecular formula | C7H7NOS |
| Average molar mass | 153.2 g/mol |
| SMILES | O=C1CCc2scnc2C1 |
| InChIKey | MAOOKCQQMBUGTO-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 58.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 160 |
| Boiling point | 317.3±42.0 °C(Predicted) |
| Density | 1.326±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 1.68±0.20(Predicted) |