3-(butylsulfanyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,2-thiazole-4-carbonitrile
Chemical Structure Depiction of
3-(butylsulfanyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,2-thiazole-4-carbonitrile
3-(butylsulfanyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,2-thiazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8010-0124 |
| Compound Name: | 3-(butylsulfanyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,2-thiazole-4-carbonitrile |
| Molecular Weight: | 348.51 |
| Molecular Formula: | C16 H16 N2 O S3 |
| Smiles: | CCCCSc1c(C#N)c(SCC(c2ccccc2)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.9684 |
| logD: | 4.9684 |
| logSw: | -4.7844 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.893 |
| InChI Key: | KLZQOWYWFSIUTI-UHFFFAOYSA-N |