2-{3-[5-methoxy-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]prop-1-en-1-yl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-{3-[5-methoxy-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]prop-1-en-1-yl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
2-{3-[5-methoxy-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]prop-1-en-1-yl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0700 |
| Compound Name: | 2-{3-[5-methoxy-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]prop-1-en-1-yl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 530.47 |
| Molecular Formula: | C25 H27 N2 O S |
| Salt: | I- |
| Smiles: | CC1(C)C(\C=C\C=C2/N(CC=C)c3cc(ccc3S2)OC)=[N+](C)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.6145 |
| logD: | 6.6145 |
| logSw: | -5.8178 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 11.0885 |
| InChI Key: | ZPOHXFYSBZVFAD-UHFFFAOYSA-N |