3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 8016-7820 |
| Compound Name: | 3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 187.22 |
| Molecular Formula: | C6 H9 N3 O2 S |
| Smiles: | Cn1cnnc1SCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4735 |
| logD: | -3.1692 |
| logSw: | -0.859 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.388 |
| InChI Key: | KLNNPUJNIZGPRQ-UHFFFAOYSA-N |