5-bromo-2-oxo-2H-1,3-benzoxathiol-6-yl dimethylsulfamate
Chemical Structure Depiction of
5-bromo-2-oxo-2H-1,3-benzoxathiol-6-yl dimethylsulfamate
5-bromo-2-oxo-2H-1,3-benzoxathiol-6-yl dimethylsulfamate
Compound characteristics
| Compound ID: | 8013-5570 |
| Compound Name: | 5-bromo-2-oxo-2H-1,3-benzoxathiol-6-yl dimethylsulfamate |
| Molecular Weight: | 354.19 |
| Molecular Formula: | C9 H8 Br N O5 S2 |
| Smiles: | CN(C)S(=O)(=O)Oc1cc2c(cc1[Br])SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 1.844 |
| logD: | 1.844 |
| logSw: | -2.1622 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 61.736 |
| InChI Key: | NSCYVFRTJWOUJX-UHFFFAOYSA-N |