S-{5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl} 2-bromobenzene-1-carbothioate
Chemical Structure Depiction of
S-{5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl} 2-bromobenzene-1-carbothioate
S-{5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl} 2-bromobenzene-1-carbothioate
Compound characteristics
| Compound ID: | 1207-0191 |
| Compound Name: | S-{5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl} 2-bromobenzene-1-carbothioate |
| Molecular Weight: | 438.75 |
| Molecular Formula: | C17 H9 Br Cl N O2 S2 |
| Smiles: | C(=C1/C(N=C(S1)SC(c1ccccc1[Br])=O)=O)/c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.03 |
| logD: | 5.03 |
| logSw: | -5.3565 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 35.979 |
| InChI Key: | KQEVYYMVPMCVIA-UHFFFAOYSA-N |