4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-iodobenzoate
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-iodobenzoate
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-iodobenzoate
Compound characteristics
| Compound ID: | 1013-0393 |
| Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-iodobenzoate |
| Molecular Weight: | 467.3 |
| Molecular Formula: | C17 H10 I N O3 S2 |
| Smiles: | C(=C1/C(NC(=S)S1)=O)/c1ccc(cc1)OC(c1ccccc1I)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4026 |
| logD: | 2.0515 |
| logSw: | -3.9888 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.278 |
| InChI Key: | HEAKSUIDJIKJMJ-UHFFFAOYSA-N |