5-{[(2-cyanoethyl)sulfanyl]methyl}furan-2-carboxylic acid
Chemical Structure Depiction of
5-{[(2-cyanoethyl)sulfanyl]methyl}furan-2-carboxylic acid
5-{[(2-cyanoethyl)sulfanyl]methyl}furan-2-carboxylic acid
Compound characteristics
| Compound ID: | 8013-2502 |
| Compound Name: | 5-{[(2-cyanoethyl)sulfanyl]methyl}furan-2-carboxylic acid |
| Molecular Weight: | 211.24 |
| Molecular Formula: | C9 H9 N O3 S |
| Smiles: | C(CSCc1ccc(C(O)=O)o1)C#N |
| Stereo: | ACHIRAL |
| logP: | 0.9465 |
| logD: | -3.0374 |
| logSw: | -1.7184 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.98 |
| InChI Key: | KXHJJUBTIZNZRR-UHFFFAOYSA-N |