5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol
5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-8986 |
| Compound Name: | 5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 285.81 |
| Molecular Formula: | C11 H12 Cl N3 S2 |
| Smiles: | Cn1c(CSCc2ccccc2[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.6888 |
| logD: | 2.2643 |
| logSw: | -3.3024 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.7722 |
| InChI Key: | FBNAYHILWLLBAN-UHFFFAOYSA-N |