5,7-di-tert-butyl-8-hydroxy-3-methyl-1,4-benzoxathiin-2(3H)-one
Chemical Structure Depiction of
5,7-di-tert-butyl-8-hydroxy-3-methyl-1,4-benzoxathiin-2(3H)-one
5,7-di-tert-butyl-8-hydroxy-3-methyl-1,4-benzoxathiin-2(3H)-one
Compound characteristics
| Compound ID: | 8020-1646 |
| Compound Name: | 5,7-di-tert-butyl-8-hydroxy-3-methyl-1,4-benzoxathiin-2(3H)-one |
| Molecular Weight: | 308.44 |
| Molecular Formula: | C17 H24 O3 S |
| Smiles: | CC1C(=O)Oc2c(c(cc(c2S1)C(C)(C)C)C(C)(C)C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7491 |
| logD: | 4.748 |
| logSw: | -4.4163 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.324 |
| InChI Key: | ZUSOEMSJWKMNET-VIFPVBQESA-N |