| CAS Number | 213747-65-0 |
| Catalog Number | AG01DTCN(AGN-PC-01UEF0) |
| Chemical Name | 2-chloro-4-[(4-methylphenyl)sulfanyl]pyrimidine |
| IUPAC Name | 2-chloro-4-(4-methylphenyl)sulfanylpyrimidine |
| InChI | InChI=1S/C11H9ClN2S/c1-8-2-4-9(5-3-8)15-10-6-7-13-11(12)14-10/h2-7H,1H3 |
| InChI Key | ZYJUNIRXYPMKRJ-UHFFFAOYSA-N |
| MDL Number | MFCD16662240 |
| Molecular Formula | C11H9ClN2S |
| Molecular Weight | 236.7206 |
| SMILES | CC1=CC=C(SC2=NC(Cl)=NC=C2)C=C1 |
| Synonyms | 2-Chloro-4-[(4-methylphenyl)sulfanyl]pyrimidine,
213747-65-0,
SCHEMBL7671220,
ZYJUNIRXYPMKRJ-UHFFFAOYSA-N,
AKOS009154791,
2-chloro-4-(4-methylphenylsulphanyl)pyrimidine,
Pyrimidine, 2-chloro-4-[(4-methylphenyl)thio]-,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.717g/mol |
| Monoisotopic Mass | 236.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number