5-(4,5-dibromothiophen-2-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4,5-dibromothiophen-2-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol
5-(4,5-dibromothiophen-2-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8790 |
| Compound Name: | 5-(4,5-dibromothiophen-2-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 413.15 |
| Molecular Formula: | C10 H11 Br2 N3 O S2 |
| Smiles: | COCCCn1c(c2cc(c(s2)[Br])[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.3036 |
| logD: | 3.1957 |
| logSw: | -3.4863 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.325 |
| InChI Key: | OTMPERVTKJHTQX-UHFFFAOYSA-N |