5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0069 |
| Compound Name: | 5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 262.29 |
| Molecular Formula: | C11 H10 N4 O2 S |
| Smiles: | C=CCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.4957 |
| logD: | 1.8652 |
| logSw: | -2.5019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.346 |
| InChI Key: | NYVAMWAVHJMDQT-UHFFFAOYSA-N |