2-methyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]hexan-2-ol
Chemical Structure Depiction of
2-methyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]hexan-2-ol
2-methyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]hexan-2-ol
Compound characteristics
| Compound ID: | 8009-6959 |
| Compound Name: | 2-methyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]hexan-2-ol |
| Molecular Weight: | 255.38 |
| Molecular Formula: | C12 H21 N3 O S |
| Smiles: | CCC(CC(C)(C)O)c1nnc(n1CC=C)S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8127 |
| logD: | 2.7865 |
| logSw: | -2.7288 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.294 |
| InChI Key: | XTNUQFPJPWKBNJ-VIFPVBQESA-N |