3-butyl-2-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-butyl-2-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
3-butyl-2-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 1493-0240 |
| Compound Name: | 3-butyl-2-methyl-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 333.23 |
| Molecular Formula: | C12 H16 N S |
| Salt: | I- |
| Smiles: | CCCC[n+]1c2ccccc2sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.0993 |
| logD: | 4.0993 |
| logSw: | -3.9257 |
| Polar surface area: | 1.748 |
| InChI Key: | WUBADEYCUXCRMK-UHFFFAOYSA-N |