AC1LIR0Q
methyl 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
Also Known As: methyl {[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate|methyl 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetate|methyl 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate|methyl 2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2- ylthio)acetate|methyl 2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
| Molecular Formula | C14H16N2O3S2 |
|---|---|
| Molecular Weight | 324.06024 g/mol |
| LogP | 2.52594 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.06024 |
| Monoisotopic Mass | 324.06024 |
| Heavy Atoms | 21 |
| Complexity | 761.6454 |
Chemical Identifiers
| CAS Number | 577984-90-8 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)OC)CC=C)C |
Product Overview
AC1LIR0Q (CAS 577984-90-8), with molecular formula C14H16N2O3S2 and molecular weight 324.06024 g/mol. IUPAC: methyl 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate.