| CAS Number | 1105191-77-2 |
| Catalog Number | AG01ARMS |
| Chemical Name | N-methyl-2-(6-oxo-2-sulfanyl-1,6-dihydropyrimidin-4-yl)acetamide |
| IUPAC Name | N-methyl-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide |
| InChI | InChI=1S/C7H9N3O2S/c1-8-5(11)2-4-3-6(12)10-7(13)9-4/h3H,2H2,1H3,(H,8,11)(H2,9,10,12,13) |
| InChI Key | PUEFXXZLURMQOT-UHFFFAOYSA-N |
| MDL Number | MFCD11986918 |
| Molecular Formula | C7H9N3O2S |
| Molecular Weight | 199.2303 |
| SMILES | CNC(CC1N=C(S)NC(=O)C=1)=O |
| Synonyms | 1105191-77-2,
2-(2-mercapto-6-oxo-1,6-dihydropyrimidin-4-yl)-N-methylacetamide,
ZINC26423613,
AKOS005208061,
MCULE-6302059889,
F2158-0433,
N-methyl-2-(6-oxo-2-sulfanyl-1H-pyrimidin-4-yl)acetamide,
N-methyl-2-(6-oxo-2-sulfanyl-1,6-dihydropyrimidin-4-yl)acetamide,
N-methyl-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.228g/mol |
| Monoisotopic Mass | 199.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number