2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5984-0394 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 453.3 |
| Molecular Formula: | C18 H16 N O3 S |
| Salt: | I- |
| Smiles: | C[n+]1c2cc(ccc2sc1/C=C/c1ccc2c(c1)OCO2)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5517 |
| logD: | 4.5517 |
| logSw: | -4.519 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.4777 |
| InChI Key: | LTTQZHNMLVEYBB-XBXARRHUSA-N |