3-ethyl-2-{[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-ethyl-2-{[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
3-ethyl-2-{[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7165-0835 |
| Compound Name: | 3-ethyl-2-{[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 492.44 |
| Molecular Formula: | C21 H21 N2 S2 |
| Salt: | I- |
| Smiles: | CC[n+]1c2ccccc2sc1/C=C1/N(C)C(=CS1)c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2851 |
| logD: | 6.2851 |
| logSw: | -5.8655 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 2.4065 |
| InChI Key: | HMRPORSUZGPUPR-UHFFFAOYSA-N |