2-{[3-(2-hydroxyethyl)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-{[3-(2-hydroxyethyl)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
2-{[3-(2-hydroxyethyl)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6253-0697 |
| Compound Name: | 2-{[3-(2-hydroxyethyl)-6-methyl-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: | Cc1ccc2c(c1)SC(=C/c1[n+](C)c3ccccc3s1)\N2CCO |
| Stereo: | ACHIRAL |
| logP: | 4.6288 |
| logD: | 4.6288 |
| logSw: | -4.3522 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.1368 |
| InChI Key: | YULIZRIVVHGXPP-UHFFFAOYSA-N |