6-[(2,4-dinitrophenyl)sulfanyl]-9H-purine
Chemical Structure Depiction of
6-[(2,4-dinitrophenyl)sulfanyl]-9H-purine
6-[(2,4-dinitrophenyl)sulfanyl]-9H-purine
Compound characteristics
| Compound ID: | 4657-0406 |
| Compound Name: | 6-[(2,4-dinitrophenyl)sulfanyl]-9H-purine |
| Molecular Weight: | 318.27 |
| Molecular Formula: | C11 H6 N6 O4 S |
| Smiles: | c1cc(c(cc1[N+]([O-])=O)[N+]([O-])=O)Sc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.2999 |
| logD: | 2.2998 |
| logSw: | -2.6842 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.997 |
| InChI Key: | LMBQPUKTECHWGL-UHFFFAOYSA-N |