4-chloro-N-(2-methoxy-4-nitrophenyl)-5H-1,2,3-dithiazol-5-imine
Chemical Structure Depiction of
4-chloro-N-(2-methoxy-4-nitrophenyl)-5H-1,2,3-dithiazol-5-imine
4-chloro-N-(2-methoxy-4-nitrophenyl)-5H-1,2,3-dithiazol-5-imine
Compound characteristics
| Compound ID: | 8015-2002 |
| Compound Name: | 4-chloro-N-(2-methoxy-4-nitrophenyl)-5H-1,2,3-dithiazol-5-imine |
| Molecular Weight: | 303.74 |
| Molecular Formula: | C9 H6 Cl N3 O3 S2 |
| Smiles: | COc1cc(ccc1/N=C1/C(=NSS1)[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8898 |
| logD: | 2.6719 |
| logSw: | -3.4525 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.747 |
| InChI Key: | ATRSCOBWBQTDNF-UHFFFAOYSA-N |