3-[(5-chloro-2-nitrophenyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(5-chloro-2-nitrophenyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
3-[(5-chloro-2-nitrophenyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8007-7084 |
| Compound Name: | 3-[(5-chloro-2-nitrophenyl)sulfanyl]-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 270.69 |
| Molecular Formula: | C9 H7 Cl N4 O2 S |
| Smiles: | Cn1cnnc1Sc1cc(ccc1[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.0803 |
| logD: | 2.0803 |
| logSw: | -2.804 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.813 |
| InChI Key: | NUCVCRBMWMQGKI-UHFFFAOYSA-N |