S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzene-1-carbothioate
Chemical Structure Depiction of
S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzene-1-carbothioate
S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzene-1-carbothioate
Compound characteristics
| Compound ID: | 1013-0126 |
| Compound Name: | S-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl) 2-bromobenzene-1-carbothioate |
| Molecular Weight: | 404.3 |
| Molecular Formula: | C17 H10 Br N O2 S2 |
| Smiles: | C(=C1/C(N=C(S1)SC(c1ccccc1[Br])=O)=O)/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4396 |
| logD: | 4.4396 |
| logSw: | -4.6253 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 35.979 |
| InChI Key: | BXIUOWUMDPZEMR-UHFFFAOYSA-N |