4-(prop-2-en-1-yl)-5-{[2-(prop-2-en-1-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(prop-2-en-1-yl)-5-{[2-(prop-2-en-1-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
4-(prop-2-en-1-yl)-5-{[2-(prop-2-en-1-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6026-0076 |
| Compound Name: | 4-(prop-2-en-1-yl)-5-{[2-(prop-2-en-1-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 287.38 |
| Molecular Formula: | C15 H17 N3 O S |
| Smiles: | C=CCc1ccccc1OCc1nnc(n1CC=C)S |
| Stereo: | ACHIRAL |
| logP: | 3.0031 |
| logD: | 2.5787 |
| logSw: | -3.1121 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.5263 |
| InChI Key: | BPESHTCZHMDJBL-UHFFFAOYSA-N |