4,6-dinitro-1,2-benzothiazol-3(2H)-one
Chemical Structure Depiction of
4,6-dinitro-1,2-benzothiazol-3(2H)-one
4,6-dinitro-1,2-benzothiazol-3(2H)-one
Compound characteristics
| Compound ID: | 8007-8912 |
| Compound Name: | 4,6-dinitro-1,2-benzothiazol-3(2H)-one |
| Molecular Weight: | 241.18 |
| Molecular Formula: | C7 H3 N3 O5 S |
| Smiles: | c1c(cc2c(C(NS2)=O)c1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2193 |
| logD: | 1.172 |
| logSw: | -2.4016 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.964 |
| InChI Key: | SZSGLTJRGBVOOH-UHFFFAOYSA-N |