3-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-1H-1,2,4-triazole
3-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8008-8363 |
| Compound Name: | 3-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-1H-1,2,4-triazole |
| Molecular Weight: | 255.34 |
| Molecular Formula: | C14 H13 N3 S |
| Smiles: | Cc1ccc2ccccc2c1CSc1nc[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6949 |
| logD: | 3.6832 |
| logSw: | -3.9687 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.121 |
| InChI Key: | MXCSSVPTZSJCQZ-UHFFFAOYSA-N |