5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde
Chemical Structure Depiction of
5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde
5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde
Compound characteristics
| Compound ID: | 8019-7627 |
| Compound Name: | 5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde |
| Molecular Weight: | 238.22 |
| Molecular Formula: | C8 H6 N4 O3 S |
| Smiles: | C(c1cc(C=O)cs1)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.9398 |
| logD: | 0.9398 |
| logSw: | -1.8211 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.812 |
| InChI Key: | LWUHRRYMPAGRRZ-UHFFFAOYSA-N |