5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
Compound ID: | 5750-2498 |
Compound Name: | 5-(benzyloxy)-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(nnc1S)OCc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 2.5352 |
logD: | 2.4071 |
logSw: | -2.4033 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 30.7638 |
InChI Key: | HQHVIDWGWBKEJO-UHFFFAOYSA-N |