5-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
Chemical Structure Depiction of
5-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
5-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
Compound characteristics
| Compound ID: | 8012-6650 |
| Compound Name: | 5-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid |
| Molecular Weight: | 222.26 |
| Molecular Formula: | C11 H10 O3 S |
| Smiles: | CSCc1ccc2c(c1)cc(C(O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 2.8675 |
| logD: | -1.5382 |
| logSw: | -3.0106 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.939 |
| InChI Key: | HKZRIEZNQUUICN-UHFFFAOYSA-N |