4-azido-2-methyl-6-nitro-1,2-benzothiazol-3(2H)-one
Chemical Structure Depiction of
4-azido-2-methyl-6-nitro-1,2-benzothiazol-3(2H)-one
4-azido-2-methyl-6-nitro-1,2-benzothiazol-3(2H)-one
Compound characteristics
| Compound ID: | 8009-3687 |
| Compound Name: | 4-azido-2-methyl-6-nitro-1,2-benzothiazol-3(2H)-one |
| Molecular Weight: | 251.22 |
| Molecular Formula: | C8 H5 N5 O3 S |
| Smiles: | CN1C(c2c(cc(cc2S1)[N+]([O-])=O)N=[N+]=[N-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6022 |
| logD: | 1.6022 |
| logSw: | -2.0266 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.881 |
| InChI Key: | LNDJLVPWSWYRGZ-UHFFFAOYSA-N |