5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-8990 |
| Compound Name: | 5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 231.32 |
| Molecular Formula: | C12 H13 N3 S |
| Smiles: | Cc1cccc(c1)c1nnc(n1CC=C)S |
| Stereo: | ACHIRAL |
| logP: | 2.9393 |
| logD: | 2.3089 |
| logSw: | -2.8971 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.9643 |
| InChI Key: | AGGUEVUAPLNPMU-UHFFFAOYSA-N |