2-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-1,3,4-thiadiazole
Chemical Structure Depiction of
2-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-1,3,4-thiadiazole
2-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-1,3,4-thiadiazole
Compound characteristics
| Compound ID: | Y205-5001 |
| Compound Name: | 2-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-1,3,4-thiadiazole |
| Molecular Weight: | 257.29 |
| Molecular Formula: | C7 H7 N5 O2 S2 |
| Smiles: | Cc1nnc(SCn2cc(cn2)[N+]([O-])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 0.9553 |
| logD: | 0.9553 |
| logSw: | -1.491 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.925 |
| InChI Key: | JNJKFFGUCGNUSJ-UHFFFAOYSA-N |