S-(quinolin-8-yl) 4-nitrobenzene-1-carbothioate
Chemical Structure Depiction of
S-(quinolin-8-yl) 4-nitrobenzene-1-carbothioate
S-(quinolin-8-yl) 4-nitrobenzene-1-carbothioate
Compound characteristics
| Compound ID: | 1900-2656 |
| Compound Name: | S-(quinolin-8-yl) 4-nitrobenzene-1-carbothioate |
| Molecular Weight: | 310.33 |
| Molecular Formula: | C16 H10 N2 O3 S |
| Smiles: | c1cc(c2c(c1)cccn2)SC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8021 |
| logD: | 3.8019 |
| logSw: | -3.9263 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.153 |
| InChI Key: | JITWTEFQSDRTGA-UHFFFAOYSA-N |