2-[(2,4,6-trinitrophenyl)sulfanyl]-1,3-benzothiazole
Chemical Structure Depiction of
2-[(2,4,6-trinitrophenyl)sulfanyl]-1,3-benzothiazole
2-[(2,4,6-trinitrophenyl)sulfanyl]-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8008-2791 |
| Compound Name: | 2-[(2,4,6-trinitrophenyl)sulfanyl]-1,3-benzothiazole |
| Molecular Weight: | 378.34 |
| Molecular Formula: | C13 H6 N4 O6 S2 |
| Smiles: | c1ccc2c(c1)nc(Sc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.4022 |
| logD: | 4.4022 |
| logSw: | -4.5918 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 108.591 |
| InChI Key: | ICWGHVHLUPQWTB-UHFFFAOYSA-N |