2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7165-0047 |
| Compound Name: | 2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 482.4 |
| Molecular Formula: | C19 H19 N2 O S2 |
| Salt: | I- |
| Smiles: | CCN1/C(=C/c2[n+](C)c3ccccc3s2)Sc2ccc(cc12)OC |
| Stereo: | ACHIRAL |
| logP: | 5.5346 |
| logD: | 5.5346 |
| logSw: | -5.3838 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 10.7714 |
| InChI Key: | PLFUQWVRDIGXQK-UHFFFAOYSA-N |