4-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-(methylsulfanyl)-1,3-thiazol-5(4H)-one
Chemical Structure Depiction of
4-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-(methylsulfanyl)-1,3-thiazol-5(4H)-one
4-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-(methylsulfanyl)-1,3-thiazol-5(4H)-one
Compound characteristics
| Compound ID: | 4896-3608 |
| Compound Name: | 4-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-(methylsulfanyl)-1,3-thiazol-5(4H)-one |
| Molecular Weight: | 358.23 |
| Molecular Formula: | C12 H8 Br N O3 S2 |
| Smiles: | CSC1=NC(=C/c2cc3c(cc2[Br])OCO3)\C(=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.6006 |
| logD: | 3.6006 |
| logSw: | -3.7746 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 39.469 |
| InChI Key: | XNCZGEYURXSUGJ-UHFFFAOYSA-N |