| CAS Number | 1204298-68-9 |
| Catalog Number | AG008UIQ |
| Chemical Name | 4-Chloro-6-(difluoromethyl)-2-(methylthio)pyrimidine |
| IUPAC Name | 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine |
| InChI | InChI=1S/C6H5ClF2N2S/c1-12-6-10-3(5(8)9)2-4(7)11-6/h2,5H,1H3 |
| InChI Key | IHRHHFIDUYHBOD-UHFFFAOYSA-N |
| MDL Number | MFCD12827720 |
| Molecular Formula | C6H5ClF2N2S |
| Molecular Weight | 210.6321 |
| SMILES | CSc1nc(cc(n1)Cl)C(F)F |
| Synonyms | 4-CHLORO-6-(DIFLUOROMETHYL)-2-(METHYLTHIO)PYRIMIDINE,
1204298-68-9,
4-Chloro-6-(difluoromethyl)-2-(methylsulfanyl)pyrimidine,
IHRHHFIDUYHBOD-UHFFFAOYSA-N,
PubChem17000,
SCHEMBL16044834,
DTXSID30719870,
ZINC44831878,
C-2423,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.627g/mol |
| Monoisotopic Mass | 209.983g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number