2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium--iodide (1/1)
2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6253-0728 |
| Compound Name: | 2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 496.43 |
| Molecular Formula: | C20 H21 N2 O S2 |
| Salt: | I- |
| Smiles: | CCN1/C(=C/c2[n+](CCO)c3ccccc3s2)Sc2ccc(C)cc12 |
| Stereo: | ACHIRAL |
| logP: | 5.3218 |
| logD: | 5.3218 |
| logSw: | -5.3178 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.0515 |
| InChI Key: | XGWSVAHFHDAWGQ-UHFFFAOYSA-N |