5-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazole
Chemical Structure Depiction of
5-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazole
5-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-7781 |
| Compound Name: | 5-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazole |
| Molecular Weight: | 225.7 |
| Molecular Formula: | C9 H8 Cl N3 S |
| Smiles: | C(c1ccccc1[Cl])Sc1ncn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.5402 |
| logD: | 2.316 |
| logSw: | -3.0551 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.392 |
| InChI Key: | VFVGHCLXBZSMAE-UHFFFAOYSA-N |