1,3,5-trinitro-2-(phenylsulfanyl)benzene
Chemical Structure Depiction of
1,3,5-trinitro-2-(phenylsulfanyl)benzene
1,3,5-trinitro-2-(phenylsulfanyl)benzene
Compound characteristics
| Compound ID: | 0233-0068 |
| Compound Name: | 1,3,5-trinitro-2-(phenylsulfanyl)benzene |
| Molecular Weight: | 321.27 |
| Molecular Formula: | C12 H7 N3 O6 S |
| Smiles: | c1ccc(cc1)Sc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5602 |
| logD: | 3.5602 |
| logSw: | -3.9279 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.51 |
| InChI Key: | ZWQCBGUXALYGIE-UHFFFAOYSA-N |