4-amino-5-[chloro(difluoro)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-amino-5-[chloro(difluoro)methyl]-4H-1,2,4-triazole-3-thiol
4-amino-5-[chloro(difluoro)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y507-1789 |
| Compound Name: | 4-amino-5-[chloro(difluoro)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 200.59 |
| Molecular Formula: | C3 H3 Cl F2 N4 S |
| Smiles: | c1(C(F)(F)[Cl])nnc(n1N)S |
| Stereo: | ACHIRAL |
| logP: | 0.4922 |
| logD: | -0.2202 |
| logSw: | -1.0767 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 41.156 |
| InChI Key: | ROHVAOYJHGAGSU-UHFFFAOYSA-N |