(5-amino-1H-1,2,4-triazole-3-sulfinyl)acetonitrile
Chemical Structure Depiction of
(5-amino-1H-1,2,4-triazole-3-sulfinyl)acetonitrile
(5-amino-1H-1,2,4-triazole-3-sulfinyl)acetonitrile
Compound characteristics
| Compound ID: | Y021-2665 |
| Compound Name: | (5-amino-1H-1,2,4-triazole-3-sulfinyl)acetonitrile |
| Molecular Weight: | 171.18 |
| Molecular Formula: | C4 H5 N5 O S |
| Smiles: | C(C#N)S(c1nc(N)[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | -1.2574 |
| logD: | -1.267 |
| logSw: | -0.9645 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.215 |
| InChI Key: | BAUNJMRRITYTOM-UHFFFAOYSA-N |