2-[(1-ethylthieno[2,3-e][1,3]benzothiazol-2(1H)-ylidene)methyl]-1,6-dimethylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(1-ethylthieno[2,3-e][1,3]benzothiazol-2(1H)-ylidene)methyl]-1,6-dimethylquinolin-1-ium--iodide (1/1)
2-[(1-ethylthieno[2,3-e][1,3]benzothiazol-2(1H)-ylidene)methyl]-1,6-dimethylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4890-0190 |
| Compound Name: | 2-[(1-ethylthieno[2,3-e][1,3]benzothiazol-2(1H)-ylidene)methyl]-1,6-dimethylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 516.47 |
| Molecular Formula: | C23 H21 N2 S2 |
| Salt: | I- |
| Smiles: | CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2C)Sc2ccc3ccsc3c12 |
| Stereo: | ACHIRAL |
| logP: | 7.1616 |
| logD: | 7.1616 |
| logSw: | -6.0086 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 4.2783 |
| InChI Key: | NKPOBBNEGFSPBL-UHFFFAOYSA-N |