methyl 3-methyl-6,7-dihydro-5H-spiro[[1]benzofuran-4,2'-[1,3]dithiolane]-2-carboxylate
Chemical Structure Depiction of
methyl 3-methyl-6,7-dihydro-5H-spiro[[1]benzofuran-4,2'-[1,3]dithiolane]-2-carboxylate
methyl 3-methyl-6,7-dihydro-5H-spiro[[1]benzofuran-4,2'-[1,3]dithiolane]-2-carboxylate
Compound characteristics
| Compound ID: | 8016-5450 |
| Compound Name: | methyl 3-methyl-6,7-dihydro-5H-spiro[[1]benzofuran-4,2'-[1,3]dithiolane]-2-carboxylate |
| Molecular Weight: | 284.39 |
| Molecular Formula: | C13 H16 O3 S2 |
| Smiles: | Cc1c2c(CCCC23SCCS3)oc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0771 |
| logD: | 3.0771 |
| logSw: | -3.0363 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 30.4254 |
| InChI Key: | RKYQEGBHYNXNKE-UHFFFAOYSA-N |