2-{3-[5,6-dimethyl-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-[5,6-dimethyl-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-[5,6-dimethyl-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: | 7771-0701 |
| Compound Name: | 2-{3-[5,6-dimethyl-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: | 528.5 |
| Molecular Formula: | C26 H29 N2 S |
| Salt: | I- |
| Smiles: | Cc1cc2c(cc1C)SC(=C\C=C\C1C(C)(C)c3ccccc3[N+]=1C)\N2CC=C |
| Stereo: | ACHIRAL |
| logP: | 7.3066 |
| logD: | 7.3066 |
| logSw: | -5.9437 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 3.5447 |
| InChI Key: | HELFZOGKPNNQRP-UHFFFAOYSA-N |