3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium
Chemical Structure Depiction of
3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium
3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium
Compound characteristics
| Compound ID: | 0757-0002 |
| Compound Name: | 3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium |
| Molecular Weight: | 518.48 |
| Molecular Formula: | C23 H23 N2 S2 |
| Salt: | I- |
| Smiles: | CCN1/C(=C\C=C/C=C/c2[n+](CC)c3ccccc3s2)Sc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.7816 |
| logD: | 6.7816 |
| logSw: | -5.9692 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 2.1423 |
| InChI Key: | FYXWDSGGZAMYFZ-UHFFFAOYSA-N |