2-(methylsulfanyl)-4-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5(4H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-4-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5(4H)-one
2-(methylsulfanyl)-4-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5(4H)-one
Compound characteristics
| Compound ID: | 5617-0707 |
| Compound Name: | 2-(methylsulfanyl)-4-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5(4H)-one |
| Molecular Weight: | 324.33 |
| Molecular Formula: | C12 H8 N2 O5 S2 |
| Smiles: | CSC1=NC(=C/c2cc3c(cc2[N+]([O-])=O)OCO3)\C(=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.9116 |
| logD: | 2.9116 |
| logSw: | -3.5089 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.55 |
| InChI Key: | DUYOZVOSQDBGHB-UHFFFAOYSA-N |