O-ethyl {[(4-bromobenzene-1-sulfonyl)imino](phenyl)methyl}carbamothioate
Chemical Structure Depiction of
O-ethyl {[(4-bromobenzene-1-sulfonyl)imino](phenyl)methyl}carbamothioate
O-ethyl {[(4-bromobenzene-1-sulfonyl)imino](phenyl)methyl}carbamothioate
Compound characteristics
| Compound ID: | 2112-0018 |
| Compound Name: | O-ethyl {[(4-bromobenzene-1-sulfonyl)imino](phenyl)methyl}carbamothioate |
| Molecular Weight: | 427.34 |
| Molecular Formula: | C16 H15 Br N2 O3 S2 |
| Smiles: | CCOC(NC(\c1ccccc1)=N/S(c1ccc(cc1)[Br])(=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.395 |
| logD: | 3.4119 |
| logSw: | -4.1604 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.192 |
| InChI Key: | NXRRNHRXZAQZSW-UHFFFAOYSA-N |