3-methyl-2-{[1-(prop-2-en-1-yl)pyridin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-methyl-2-{[1-(prop-2-en-1-yl)pyridin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
3-methyl-2-{[1-(prop-2-en-1-yl)pyridin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0712 |
| Compound Name: | 3-methyl-2-{[1-(prop-2-en-1-yl)pyridin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 408.3 |
| Molecular Formula: | C17 H17 N2 S |
| Salt: | I- |
| Smiles: | C[n+]1c2ccccc2sc1C=C1C=CN(CC=C)C=C1 |
| Stereo: | ACHIRAL |
| logP: | 3.6037 |
| logD: | 3.6037 |
| logSw: | -3.6797 |
| Polar surface area: | 3.9925 |
| InChI Key: | NIDNVFCXFMLWFQ-UHFFFAOYSA-N |