3-ethyl-2-{[3-(2-hydroxyethyl)-5-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-ethyl-2-{[3-(2-hydroxyethyl)-5-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
3-ethyl-2-{[3-(2-hydroxyethyl)-5-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6253-0722 |
| Compound Name: | 3-ethyl-2-{[3-(2-hydroxyethyl)-5-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 496.43 |
| Molecular Formula: | C20 H21 N2 O S2 |
| Salt: | I- |
| Smiles: | CC[n+]1c2ccccc2sc1/C=C1/N(CCO)c2cc(C)ccc2S1 |
| Stereo: | ACHIRAL |
| logP: | 5.2115 |
| logD: | 5.2115 |
| logSw: | -5.0156 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.0515 |
| InChI Key: | DOXJSKVWUDEYIJ-UHFFFAOYSA-N |