6-acetamido-3-ethyl-2-methyl-1,3-benzothiazol-3-ium--4-methylbenzene-1-sulfonate (1/1)
Chemical Structure Depiction of
6-acetamido-3-ethyl-2-methyl-1,3-benzothiazol-3-ium--4-methylbenzene-1-sulfonate (1/1)
6-acetamido-3-ethyl-2-methyl-1,3-benzothiazol-3-ium--4-methylbenzene-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 2422-1262 |
| Compound Name: | 6-acetamido-3-ethyl-2-methyl-1,3-benzothiazol-3-ium--4-methylbenzene-1-sulfonate (1/1) |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C12 H15 N2 O S |
| Salt: | p-CH3C6H4SO3- |
| Smiles: | CC[n+]1c2ccc(cc2sc1C)NC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5342 |
| logD: | 2.5342 |
| logSw: | -2.9107 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.7563 |
| InChI Key: | SSMCOSFGOVEUHL-UHFFFAOYSA-O |