5-(dimethylsulfaniumyl)-3-(4-methylpentyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Chemical Structure Depiction of
5-(dimethylsulfaniumyl)-3-(4-methylpentyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
5-(dimethylsulfaniumyl)-3-(4-methylpentyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Compound characteristics
| Compound ID: | 8013-0181 |
| Compound Name: | 5-(dimethylsulfaniumyl)-3-(4-methylpentyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate |
| Molecular Weight: | 272.36 |
| Molecular Formula: | C12 H20 N2 O3 S |
| Smiles: | CC(C)CCCN1C(=C(C(NC1=O)=O)[S+](C)C)[O-] |
| Stereo: | ACHIRAL |
| logP: | 1.5884 |
| logD: | 1.5884 |
| logSw: | -2.1651 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.339 |
| InChI Key: | TYNVGCHRYIRJGX-UHFFFAOYSA-N |