3-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y500-9556 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 239.72 |
| Molecular Formula: | C10 H10 Cl N3 S |
| Smiles: | Cn1cnnc1SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.115 |
| logD: | 2.115 |
| logSw: | -2.5207 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.7324 |
| InChI Key: | SHRLSJRAYJBMNC-UHFFFAOYSA-N |