2-[2-cyclobutyl-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-[2-cyclobutyl-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
2-[2-cyclobutyl-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 2324-0018 |
| Compound Name: | 2-[2-cyclobutyl-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 518.48 |
| Molecular Formula: | C23 H23 N2 S2 |
| Salt: | I- |
| Smiles: | CN1/C(=C/C(=C\c2[n+](C)c3ccccc3s2)\C2CCC2)Sc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.9627 |
| logD: | 5.9627 |
| logSw: | -5.6927 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 3.5202 |
| InChI Key: | MRQCUOXPTUDQLC-UHFFFAOYSA-N |