5-(2-chlorophenyl)-4-cyclopropyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2-chlorophenyl)-4-cyclopropyl-4H-1,2,4-triazole-3-thiol
5-(2-chlorophenyl)-4-cyclopropyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-3934 |
| Compound Name: | 5-(2-chlorophenyl)-4-cyclopropyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 251.73 |
| Molecular Formula: | C11 H10 Cl N3 S |
| Smiles: | C1CC1n1c(c2ccccc2[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.7203 |
| logD: | 2.5596 |
| logSw: | -3.8686 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.6218 |
| InChI Key: | JTROUTSIDYWMEP-UHFFFAOYSA-N |