| CAS Number | 1339140-89-4 |
| Catalog Number | AG01B34U |
| Chemical Name | 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride |
| IUPAC Name | 1-methyl-2,4-dioxopyrimidine-5-sulfonyl chloride |
| InChI | InChI=1S/C5H5ClN2O4S/c1-8-2-3(13(6,11)12)4(9)7-5(8)10/h2H,1H3,(H,7,9,10) |
| InChI Key | DITGBQGSWHCHRM-UHFFFAOYSA-N |
| MDL Number | MFCD20295993 |
| Molecular Formula | C5H5ClN2O4S |
| Molecular Weight | 224.6222 |
| SMILES | CN1C(=O)NC(=O)C(S(Cl)(=O)=O)=C1 |
| Synonyms | 1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride,
1339140-89-4,
AKOS013663940,
ZINC112463239,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.615g/mol |
| Monoisotopic Mass | 223.966g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number