3-(2-phenylethanesulfinyl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
3-(2-phenylethanesulfinyl)-1H-1,2,4-triazol-5-amine
3-(2-phenylethanesulfinyl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | Y021-2659 |
| Compound Name: | 3-(2-phenylethanesulfinyl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 236.29 |
| Molecular Formula: | C10 H12 N4 O S |
| Smiles: | C(CS(c1nc(N)[nH]n1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 0.9626 |
| logD: | 0.953 |
| logSw: | -2.0333 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.451 |
| InChI Key: | JPSHHLNWCKJDFF-UHFFFAOYSA-N |