5-(methylsulfanyl)-3-(octyloxy)-1,2-thiazole-4-carbonitrile
Chemical Structure Depiction of
5-(methylsulfanyl)-3-(octyloxy)-1,2-thiazole-4-carbonitrile
5-(methylsulfanyl)-3-(octyloxy)-1,2-thiazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8016-7970 |
| Compound Name: | 5-(methylsulfanyl)-3-(octyloxy)-1,2-thiazole-4-carbonitrile |
| Molecular Weight: | 284.44 |
| Molecular Formula: | C13 H20 N2 O S2 |
| Smiles: | CCCCCCCCOc1c(C#N)c(SC)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.5635 |
| logD: | 5.5635 |
| logSw: | -5.371 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.961 |
| InChI Key: | XCXIFXPBHYHOOT-UHFFFAOYSA-N |