7-(4-butylphenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
Chemical Structure Depiction of
7-(4-butylphenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
7-(4-butylphenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
Compound characteristics
| Compound ID: | 5924-0111 |
| Compound Name: | 7-(4-butylphenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one |
| Molecular Weight: | 300.37 |
| Molecular Formula: | C17 H16 O3 S |
| Smiles: | CCCCc1ccc(cc1)c1cc(cc2c1OC(=O)S2)O |
| Stereo: | ACHIRAL |
| logP: | 5.4642 |
| logD: | 5.46 |
| logSw: | -5.2145 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.34 |
| InChI Key: | AJUMQMGCUMVORS-UHFFFAOYSA-N |