| CAS Number | 1235440-68-2 |
| Catalog Number | AG01A8LH |
| Chemical Name | 5-ethyl-6-hydroxy-3-(3-methoxyphenyl)-2-sulfanyl-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 5-ethyl-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one |
| InChI | InChI=1S/C13H14N2O3S/c1-3-10-11(16)14-13(19)15(12(10)17)8-5-4-6-9(7-8)18-2/h4-7,17H,3H2,1-2H3,(H,14,16,19) |
| InChI Key | MBEDKAHMYHKESY-UHFFFAOYSA-N |
| MDL Number | MFCD16040106 |
| Molecular Formula | C13H14N2O3S |
| Molecular Weight | 278.3269 |
| SMILES | CCC1C(=O)N(C2=CC(OC)=CC=C2)C(S)=NC=1O |
| Synonyms | 5-ethyl-6-hydroxy-3-(3-methoxyphenyl)-2-sulfanyl-3,4-dihydropyrimidin-4-one,
1235440-68-2,
AC1Q2T5Z,
ZINC100610491,
NE15909,
EN300-61911,
|
| 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