4-{[(4-bromothiophen-2-yl)methylidene]amino}-5-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{[(4-bromothiophen-2-yl)methylidene]amino}-5-methyl-4H-1,2,4-triazole-3-thiol
4-{[(4-bromothiophen-2-yl)methylidene]amino}-5-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-8691 |
| Compound Name: | 4-{[(4-bromothiophen-2-yl)methylidene]amino}-5-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 303.2 |
| Molecular Formula: | C8 H7 Br N4 S2 |
| Smiles: | Cc1nnc(n1/N=C/c1cc(cs1)[Br])S |
| Stereo: | ACHIRAL |
| logP: | 1.8934 |
| logD: | 1.4007 |
| logSw: | -1.7736 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.146 |
| InChI Key: | SUYNOYIKCKLQLE-UHFFFAOYSA-N |