| CAS Number | 863669-54-9 |
| Catalog Number | AG01EISW |
| Chemical Name | methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate |
| IUPAC Name | methyl 4-methyl-2-oxo-6-sulfanylidene-5H-pyrimidine-5-carboxylate |
| InChI | InChI=1S/C7H8N2O3S/c1-3-4(6(10)12-2)5(13)9-7(11)8-3/h4H,1-2H3,(H,9,11,13) |
| InChI Key | RECIUGQPQJGTCS-UHFFFAOYSA-N |
| MDL Number | MFCD26143635 |
| Molecular Formula | C7H8N2O3S |
| Molecular Weight | 200.215 |
| SMILES | COC(C1C(S)=NC(=O)NC=1C)=O |
| Synonyms | 863669-54-9,
methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.212g/mol |
| Monoisotopic Mass | 200.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 99.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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