3-ethyl-2-{[1-(prop-2-en-1-yl)pyridin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-ethyl-2-{[1-(prop-2-en-1-yl)pyridin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
3-ethyl-2-{[1-(prop-2-en-1-yl)pyridin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0817 |
| Compound Name: | 3-ethyl-2-{[1-(prop-2-en-1-yl)pyridin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 422.33 |
| Molecular Formula: | C18 H19 N2 S |
| Salt: | I- |
| Smiles: | CC[n+]1c2ccccc2sc1\C=C1/C=CC=CN1CC=C |
| Stereo: | ACHIRAL |
| logP: | 4.8074 |
| logD: | 4.8074 |
| logSw: | -4.6013 |
| Polar surface area: | 2.6399 |
| InChI Key: | PHXYNHHZPQCFEP-UHFFFAOYSA-N |