4-amino-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-amino-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
4-amino-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8014-5668 |
| Compound Name: | 4-amino-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 222.27 |
| Molecular Formula: | C9 H10 N4 O S |
| Smiles: | C(c1nnc(n1N)S)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 0.4729 |
| logD: | -0.2394 |
| logSw: | -1.1735 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 49.36 |
| InChI Key: | PKDBJOGLFPYJRY-UHFFFAOYSA-N |