5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,5-triazinane-2-thione
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,5-triazinane-2-thione
5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,5-triazinane-2-thione
Compound characteristics
| Compound ID: | 8016-8310 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,5-triazinane-2-thione |
| Molecular Weight: | 251.3 |
| Molecular Formula: | C11 H13 N3 O2 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1CNC(NC1)=S |
| Stereo: | ACHIRAL |
| logP: | 0.9897 |
| logD: | -1.108 |
| logSw: | -2.29 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.606 |
| InChI Key: | JSKZYAPGCAXNQT-UHFFFAOYSA-N |