6-nitro-2-[(2-nitro-2-phenylethenyl)sulfanyl]-1,3-benzothiazole
Chemical Structure Depiction of
6-nitro-2-[(2-nitro-2-phenylethenyl)sulfanyl]-1,3-benzothiazole
6-nitro-2-[(2-nitro-2-phenylethenyl)sulfanyl]-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8010-3584 |
| Compound Name: | 6-nitro-2-[(2-nitro-2-phenylethenyl)sulfanyl]-1,3-benzothiazole |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C15 H9 N3 O4 S2 |
| Smiles: | C(=C(\c1ccccc1)[N+]([O-])=O)\Sc1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8775 |
| logD: | 4.8775 |
| logSw: | -5.0521 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.688 |
| InChI Key: | LDSSHVUOXCCNJD-UHFFFAOYSA-N |