3-(2-hydroxyethyl)-2-methyl-1,3-benzothiazol-3-ium--chloride (1/1)
Chemical Structure Depiction of
3-(2-hydroxyethyl)-2-methyl-1,3-benzothiazol-3-ium--chloride (1/1)
3-(2-hydroxyethyl)-2-methyl-1,3-benzothiazol-3-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 0118-0082 |
| Compound Name: | 3-(2-hydroxyethyl)-2-methyl-1,3-benzothiazol-3-ium--chloride (1/1) |
| Molecular Weight: | 229.73 |
| Molecular Formula: | C10 H12 N O S |
| Salt: | Cl- |
| Smiles: | Cc1[n+](CCO)c2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.2523 |
| logD: | 2.2523 |
| logSw: | -1.7893 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 18.4036 |
| InChI Key: | DUPDJONYRNIZRW-UHFFFAOYSA-N |