3-methyl-2-{[5-methyl-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium--bromide (1/1)
Chemical Structure Depiction of
3-methyl-2-{[5-methyl-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium--bromide (1/1)
3-methyl-2-{[5-methyl-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 7165-0791 |
| Compound Name: | 3-methyl-2-{[5-methyl-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium--bromide (1/1) |
| Molecular Weight: | 431.41 |
| Molecular Formula: | C20 H19 N2 S2 |
| Salt: | Br- |
| Smiles: | Cc1ccc2c(c1)N(CC=C)/C(=C/c1[n+](C)c3ccccc3s1)S2 |
| Stereo: | ACHIRAL |
| logP: | 5.8646 |
| logD: | 5.8646 |
| logSw: | -5.5657 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 3.4812 |
| InChI Key: | MESLIGFAKVMQCT-UHFFFAOYSA-N |