6-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol
Chemical Structure Depiction of
6-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol
6-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol
Compound characteristics
| Compound ID: | D071-0057 |
| Compound Name: | 6-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol |
| Molecular Weight: | 247.32 |
| Molecular Formula: | C12 H13 N3 O S |
| Smiles: | Cc1ccccc1CSc1nc(c(C)nn1)O |
| Stereo: | ACHIRAL |
| logP: | 2.47 |
| logD: | 1.8253 |
| logSw: | -1.9544 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.924 |
| InChI Key: | YEXJZLMCXXCLJK-UHFFFAOYSA-N |