2-[(1-methylpyridin-4(1H)-ylidene)methyl]-3-(prop-2-en-1-yl)-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(1-methylpyridin-4(1H)-ylidene)methyl]-3-(prop-2-en-1-yl)-1,3-benzothiazol-3-ium--iodide (1/1)
2-[(1-methylpyridin-4(1H)-ylidene)methyl]-3-(prop-2-en-1-yl)-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0795 |
| Compound Name: | 2-[(1-methylpyridin-4(1H)-ylidene)methyl]-3-(prop-2-en-1-yl)-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 408.3 |
| Molecular Formula: | C17 H17 N2 S |
| Salt: | I- |
| Smiles: | CN1C=CC(C=C1)=Cc1[n+](CC=C)c2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3614 |
| logD: | 3.3614 |
| logSw: | -3.5115 |
| Polar surface area: | 2.8471 |
| InChI Key: | RNOXLOWOGZUEFZ-UHFFFAOYSA-N |