4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0081 |
| Compound Name: | 4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 267.35 |
| Molecular Formula: | C15 H13 N3 S |
| Smiles: | Cc1ccccc1n1c(c2ccccc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.5704 |
| logD: | 1.0693 |
| logSw: | -3.5552 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.1568 |
| InChI Key: | BTSHOVNQCPAYRL-UHFFFAOYSA-N |