5-{[(4-methoxyphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[(4-methoxyphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
5-{[(4-methoxyphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-9003 |
| Compound Name: | 5-{[(4-methoxyphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 329.44 |
| Molecular Formula: | C16 H15 N3 O S2 |
| Smiles: | COc1ccc(cc1)SCc1nnc(n1c1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 3.2564 |
| logD: | 1.9971 |
| logSw: | -3.4235 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.978 |
| InChI Key: | MSFBIHGWKFFJPD-UHFFFAOYSA-N |