2-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium--iodide (1/1)
2-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6253-0704 |
| Compound Name: | 2-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 482.4 |
| Molecular Formula: | C19 H19 N2 O S2 |
| Salt: | I- |
| Smiles: | Cc1ccc2c(c1)SC(=C/c1[n+](CCO)c3ccccc3s1)\N2C |
| Stereo: | ACHIRAL |
| logP: | 4.834 |
| logD: | 4.834 |
| logSw: | -4.5107 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.0925 |
| InChI Key: | SMLDUGPDFBRJPT-UHFFFAOYSA-N |