4-(2-methylprop-2-en-1-yl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2-methylprop-2-en-1-yl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
4-(2-methylprop-2-en-1-yl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0146 |
| Compound Name: | 4-(2-methylprop-2-en-1-yl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 261.34 |
| Molecular Formula: | C13 H15 N3 O S |
| Smiles: | CC(=C)Cn1c(COc2ccccc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.5382 |
| logD: | 2.1138 |
| logSw: | -2.4101 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4613 |
| InChI Key: | TXNWUQMHKIYXJK-UHFFFAOYSA-N |