HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(3,4-Dihydro-2H-1-benzothiopyran-8-yl)-4,5-dihydro-1,3-oxazol-2-amine
2-(Thiochroman-8-ylamino)-2-oxazoline · N-(3,4-dihydro-2H-thiochromen-8-yl)-4,5-dihydro-1,3-oxazol-2-amine · 2-Oxazolamine, N-(3,4-dihydro-2H-1-benzothiopyran-8-yl)-4,5-dihydro-

Identifiers & Physical Properties
| CAS No. | 27354-66-1 |
|---|---|
| Molecular formula | C12H14N2OS |
| Average molar mass | 234.32 g/mol |
| Monoisotopic mass | 234.08268425 g/mol |
| SMILES | c1cc2c(c(NC3=NCCO3)c1)SCCC2 |
| InChIKey | BZXAUWCYYQIOBP-UHFFFAOYSA-N |
| PubChem CID | 213944 |
| DTXSID | DTXSID90950060 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 58.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 282 |
| Boiling point | 352.7±52.0 °C(Predicted) |
| Density | 1.37±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 7.03±0.50(Predicted) |