3-hexyl-5-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}oxolan-2-one
Chemical Structure Depiction of
3-hexyl-5-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}oxolan-2-one
3-hexyl-5-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}oxolan-2-one
Compound characteristics
| Compound ID: | 7054-0878 |
| Compound Name: | 3-hexyl-5-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}oxolan-2-one |
| Molecular Weight: | 283.39 |
| Molecular Formula: | C13 H21 N3 O2 S |
| Smiles: | CCCCCCC1CC(CSc2nnc[nH]2)OC1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7249 |
| logD: | 2.4361 |
| logSw: | -2.9115 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.096 |
| InChI Key: | KDNSRQZQDQQWDU-UHFFFAOYSA-N |