2-{[5-methoxy-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium--bromide (1/1)
Chemical Structure Depiction of
2-{[5-methoxy-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium--bromide (1/1)
2-{[5-methoxy-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 7165-0792 |
| Compound Name: | 2-{[5-methoxy-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium--bromide (1/1) |
| Molecular Weight: | 447.41 |
| Molecular Formula: | C20 H19 N2 O S2 |
| Salt: | Br- |
| Smiles: | C[n+]1c2ccccc2sc1/C=C1/N(CC=C)c2cc(ccc2S1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.7206 |
| logD: | 5.7206 |
| logSw: | -5.4199 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 11.025 |
| InChI Key: | JIIDNQMQMUMMHC-UHFFFAOYSA-N |