3-ethyl-2-{[1-(prop-2-en-1-yl)pyridin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
Chemical Structure Depiction of
3-ethyl-2-{[1-(prop-2-en-1-yl)pyridin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
3-ethyl-2-{[1-(prop-2-en-1-yl)pyridin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
Compound characteristics
Compound ID: | 7771-0799 |
Compound Name: | 3-ethyl-2-{[1-(prop-2-en-1-yl)pyridin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium |
Molecular Weight: | 422.33 |
Molecular Formula: | C18 H19 N2 S |
Salt: | I- |
Smiles: | CC[n+]1c2ccccc2sc1C=C1C=CN(CC=C)C=C1 |
Stereo: | ACHIRAL |
logP: | 4.2183 |
logD: | 4.2183 |
logSw: | -4.2276 |
Polar surface area: | 2.9072 |
InChI Key: | VFPSSQODUOWBLH-UHFFFAOYSA-N |