3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-5-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-5-methyl-4H-1,2,4-triazole
3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-5-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-0778 |
| Compound Name: | 3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-5-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 267.78 |
| Molecular Formula: | C12 H14 Cl N3 S |
| Smiles: | CCn1c(C)nnc1SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0505 |
| logD: | 3.0504 |
| logSw: | -3.3276 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.014 |
| InChI Key: | HNAXYNIEQAJQRJ-UHFFFAOYSA-N |