5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
Compound ID: | 3229-1520 |
Compound Name: | 5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
Molecular Weight: | 327.29 |
Molecular Formula: | C10 H5 N3 O6 S2 |
Smiles: | C(=C1/C(NC(=S)S1)=O)/c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 1.6068 |
logD: | -3.0308 |
logSw: | -2.4488 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 106.841 |
InChI Key: | PWNISSIOUAVKSG-UHFFFAOYSA-N |