5-{[(4-bromophenyl)sulfanyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-{[(4-bromophenyl)sulfanyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-{[(4-bromophenyl)sulfanyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8010-0334 |
| Compound Name: | 5-{[(4-bromophenyl)sulfanyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 302.21 |
| Molecular Formula: | C9 H8 Br N3 S2 |
| Smiles: | C(C1NC(NN=1)=S)Sc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.2154 |
| logD: | 2.389 |
| logSw: | -3.2817 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.409 |
| InChI Key: | XQGULXLZERLSPA-UHFFFAOYSA-N |