2-[(1,6-dimethylquinolin-2(1H)-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(1,6-dimethylquinolin-2(1H)-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium--iodide (1/1)
2-[(1,6-dimethylquinolin-2(1H)-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4400-0119 |
| Compound Name: | 2-[(1,6-dimethylquinolin-2(1H)-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 460.38 |
| Molecular Formula: | C21 H21 N2 S |
| Salt: | I- |
| Smiles: | CC[n+]1c2ccccc2sc1\C=C1/C=Cc2cc(C)ccc2N1C |
| Stereo: | ACHIRAL |
| logP: | 5.9584 |
| logD: | 5.9584 |
| logSw: | -5.6653 |
| Polar surface area: | 1.8156 |
| InChI Key: | KBXXJPOELCNOTM-UHFFFAOYSA-N |