4-methyl-3-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-methyl-3-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4-methyl-3-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8693 |
| Compound Name: | 4-methyl-3-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 219.31 |
| Molecular Formula: | C11 H13 N3 S |
| Smiles: | Cc1cccc(CSc2nncn2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4444 |
| logD: | 2.4444 |
| logSw: | -2.3176 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.7324 |
| InChI Key: | NNAFHVSSBUZZHX-UHFFFAOYSA-N |