5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-8989 |
| Compound Name: | 5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 247.32 |
| Molecular Formula: | C12 H13 N3 O S |
| Smiles: | C=CCn1c(COc2ccccc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.9597 |
| logD: | 1.5353 |
| logSw: | -1.8689 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4397 |
| InChI Key: | NIAYRNAJFNFAIP-UHFFFAOYSA-N |