| CAS Number | 1235441-75-4 |
| Catalog Number | AG01A8LG |
| Chemical Name | 5-ethyl-6-hydroxy-3-(2-methoxyphenyl)-2-sulfanyl-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 5-ethyl-6-hydroxy-1-(2-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one |
| InChI | InChI=1S/C13H14N2O3S/c1-3-8-11(16)14-13(19)15(12(8)17)9-6-4-5-7-10(9)18-2/h4-7,17H,3H2,1-2H3,(H,14,16,19) |
| InChI Key | RKCSJPMFUBXLJA-UHFFFAOYSA-N |
| MDL Number | MFCD16040105 |
| Molecular Formula | C13H14N2O3S |
| Molecular Weight | 278.3269 |
| SMILES | CCC1C(=O)N(C2=C(OC)C=CC=C2)C(S)=NC=1O |
| Synonyms | 5-ethyl-6-hydroxy-3-(2-methoxyphenyl)-2-sulfanyl-3,4-dihydropyrimidin-4-one,
1235441-75-4,
AC1Q2T5Y,
ZINC100610486,
NE18090,
EN300-61910,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.326g/mol |
| Monoisotopic Mass | 278.073g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number