5-[(4-methylbenzene-1-sulfinyl)methyl]furan-2-carboxylic acid
Chemical Structure Depiction of
5-[(4-methylbenzene-1-sulfinyl)methyl]furan-2-carboxylic acid
5-[(4-methylbenzene-1-sulfinyl)methyl]furan-2-carboxylic acid
Compound characteristics
| Compound ID: | K780-0433 |
| Compound Name: | 5-[(4-methylbenzene-1-sulfinyl)methyl]furan-2-carboxylic acid |
| Molecular Weight: | 264.3 |
| Molecular Formula: | C13 H12 O4 S |
| Smiles: | Cc1ccc(cc1)S(Cc1ccc(C(O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2797 |
| logD: | -1.7042 |
| logSw: | -2.3929 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.629 |
| InChI Key: | PRLMMCXUTUPRNB-UHFFFAOYSA-N |