| CAS Number | 1249496-79-4 |
| Catalog Number | AG01DYL6 |
| Chemical Name | 4-chloro-2-methyl-6-(propan-2-ylsulfanyl)pyrimidine |
| IUPAC Name | 4-chloro-2-methyl-6-propan-2-ylsulfanylpyrimidine |
| InChI | InChI=1S/C8H11ClN2S/c1-5(2)12-8-4-7(9)10-6(3)11-8/h4-5H,1-3H3 |
| InChI Key | SFLRZKWDVIUXGS-UHFFFAOYSA-N |
| MDL Number | MFCD16769132 |
| Molecular Formula | C8H11ClN2S |
| Molecular Weight | 202.7043 |
| SMILES | CC(SC1=NC(C)=NC(Cl)=C1)C |
| Synonyms | 4-chloro-6-(isopropylthio)-2-methylpyrimidine,
1249496-79-4,
AKOS011770430,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.7g/mol |
| Monoisotopic Mass | 202.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number