lithium--3-[2-(2-{[1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium-2-yl]methylidene}butylidene)naphtho[1,2-d][1,3]thiazol-1(2H)-yl]propane-1-sulfonate (1/1)
Chemical Structure Depiction of
lithium--3-[2-(2-{[1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium-2-yl]methylidene}butylidene)naphtho[1,2-d][1,3]thiazol-1(2H)-yl]propane-1-sulfonate (1/1)
lithium--3-[2-(2-{[1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium-2-yl]methylidene}butylidene)naphtho[1,2-d][1,3]thiazol-1(2H)-yl]propane-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 2324-0212 |
| Compound Name: | lithium--3-[2-(2-{[1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium-2-yl]methylidene}butylidene)naphtho[1,2-d][1,3]thiazol-1(2H)-yl]propane-1-sulfonate (1/1) |
| Molecular Weight: | 686.82 |
| Molecular Formula: | C33 H31 N2 O6 S4 |
| Salt: | Li+ |
| Smiles: | CC/C(=C/c1[n+](CCCS([O-])(=O)=O)c2c3ccccc3ccc2s1)\C=C1/N(CCCS([O-])(=O)=O)c2c(ccc3ccccc23)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.7925 |
| logD: | 4.7925 |
| logSw: | -5.2826 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.159 |
| InChI Key: | LJJASSFOPDYCPC-UHFFFAOYSA-M |