4-[(furan-2-yl)methyl]-5-(3-methylthiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-[(furan-2-yl)methyl]-5-(3-methylthiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-[(furan-2-yl)methyl]-5-(3-methylthiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | IB04-1249 |
| Compound Name: | 4-[(furan-2-yl)methyl]-5-(3-methylthiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 277.36 |
| Molecular Formula: | C12 H11 N3 O S2 |
| Smiles: | Cc1ccsc1C1=NNC(N1Cc1ccco1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.45 |
| logD: | 3.28 |
| logSw: | -3.99 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.45 |
| InChI Key: | SCLGLDPOWSNWFR-UHFFFAOYSA-N |