1,3,3-trimethyl-2-{3-[3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]prop-1-en-1-yl}-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
1,3,3-trimethyl-2-{3-[3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]prop-1-en-1-yl}-3H-indol-1-ium--iodide (1/1)
1,3,3-trimethyl-2-{3-[3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]prop-1-en-1-yl}-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0699 |
| Compound Name: | 1,3,3-trimethyl-2-{3-[3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]prop-1-en-1-yl}-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 500.44 |
| Molecular Formula: | C24 H25 N2 S |
| Salt: | I- |
| Smiles: | CC1(C)C(\C=C\C=C2/N(CC=C)c3ccccc3S2)=[N+](C)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.2064 |
| logD: | 6.2064 |
| logSw: | -5.8245 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 3.5447 |
| InChI Key: | DCAABILAJBJFPA-UHFFFAOYSA-N |