3-{[(4-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 4486-0018 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 225.7 |
| Molecular Formula: | C9 H8 Cl N3 S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nnc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.6584 |
| logD: | 1.2821 |
| logSw: | -2.2937 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.392 |
| InChI Key: | IPYLPWUQKVUWGY-UHFFFAOYSA-N |