2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazine-1-carbothioamide
2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 0312-0040 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazine-1-carbothioamide |
| Molecular Weight: | 223.25 |
| Molecular Formula: | C9 H9 N3 O2 S |
| Smiles: | C1Oc2ccc(\C=N/NC(N)=S)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 1.9042 |
| logD: | 1.9042 |
| logSw: | -2.5161 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 59.162 |
| InChI Key: | XPZMHSMUMPMPMD-UHFFFAOYSA-N |