4-{[(butan-2-yl)sulfanyl]methyl}-5-methylfuran-2-carboxylic acid
Chemical Structure Depiction of
4-{[(butan-2-yl)sulfanyl]methyl}-5-methylfuran-2-carboxylic acid
4-{[(butan-2-yl)sulfanyl]methyl}-5-methylfuran-2-carboxylic acid
Compound characteristics
Compound ID: | 8005-9615 |
Compound Name: | 4-{[(butan-2-yl)sulfanyl]methyl}-5-methylfuran-2-carboxylic acid |
Molecular Weight: | 228.31 |
Molecular Formula: | C11 H16 O3 S |
Smiles: | CCC(C)SCc1cc(C(O)=O)oc1C |
Stereo: | RACEMIC MIXTURE |
logP: | 2.7318 |
logD: | -0.5585 |
logSw: | -2.5843 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.972 |
InChI Key: | BLQZTMZQZKDDTO-ZETCQYMHSA-N |