| CAS Number | 902243-56-5 |
| Catalog Number | AG01B7MX |
| Chemical Name | 5-Chloro-2-(methylthio)pyrimidine-4-carboxamide |
| IUPAC Name | 5-chloro-2-methylsulfanylpyrimidine-4-carboxamide |
| InChI | InChI=1S/C6H6ClN3OS/c1-12-6-9-2-3(7)4(10-6)5(8)11/h2H,1H3,(H2,8,11) |
| InChI Key | BSHRLGFWSDXIJS-UHFFFAOYSA-N |
| MDL Number | MFCD08744823 |
| Molecular Formula | C6H6ClN3OS |
| Molecular Weight | 203.6493 |
| SMILES | O=C(C1=NC(SC)=NC=C1Cl)N |
| Synonyms | 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide,
902243-56-5,
C6H6ClN3OS,
SCHEMBL15286480,
BSHRLGFWSDXIJS-UHFFFAOYSA-N,
STK611661,
ZINC13625114,
AKOS003106515,
MCULE-3549772196,
5-chloro-2-methylsulfanylpyrimidine-4-carboxamide,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.644g/mol |
| Monoisotopic Mass | 202.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 94.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number