2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6253-0589 |
| Compound Name: | 2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 425.29 |
| Molecular Formula: | C17 H16 N O2 S |
| Salt: | I- |
| Smiles: | C[n+]1c2ccc(cc2sc1/C=C/c1ccc(cc1)O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0004 |
| logD: | 3.9981 |
| logSw: | -4.3501 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.9792 |
| InChI Key: | TXBRNEMRKSQPCK-UHFFFAOYSA-O |