2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazine-1-carbothioamide
2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 1910-1163 |
| Compound Name: | 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazine-1-carbothioamide |
| Molecular Weight: | 268.25 |
| Molecular Formula: | C9 H8 N4 O4 S |
| Smiles: | C1Oc2cc(/C=N/NC(N)=S)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8083 |
| logD: | 1.8082 |
| logSw: | -2.5176 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.243 |
| InChI Key: | IOKYPDHGVZKBSG-UHFFFAOYSA-N |