3-ethyl-2-[7-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-ethyl-2-[7-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzothiazol-3-ium--iodide (1/1)
3-ethyl-2-[7-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 0690-0001 |
| Compound Name: | 3-ethyl-2-[7-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 544.52 |
| Molecular Formula: | C25 H25 N2 S2 |
| Salt: | I- |
| Smiles: | CCN1/C(=C\C=C\C=C/C=C/c2[n+](CC)c3ccccc3s2)Sc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.4014 |
| logD: | 7.4014 |
| logSw: | -5.9525 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 2.1423 |
| InChI Key: | UMTQICYFVVKJFV-UHFFFAOYSA-N |