| CAS Number | 1512106-36-3 |
| Catalog Number | AG01DTDD |
| Chemical Name | 2-chloro-5-methyl-4-(propan-2-ylsulfanyl)pyrimidine |
| IUPAC Name | 2-chloro-5-methyl-4-propan-2-ylsulfanylpyrimidine |
| InChI | InChI=1S/C8H11ClN2S/c1-5(2)12-7-6(3)4-10-8(9)11-7/h4-5H,1-3H3 |
| InChI Key | CHBGYWRMFYQDAI-UHFFFAOYSA-N |
| MDL Number | MFCD21790274 |
| Molecular Formula | C8H11ClN2S |
| Molecular Weight | 202.7043 |
| SMILES | CC(SC1=C(C)C=NC(Cl)=N1)C |
| Synonyms | 2-chloro-4-(isopropylthio)-5-methylpyrimidine,
1512106-36-3,
AKOS017624052,
2-chloro-5-methyl-4-(propan-2-ylsulfanyl)pyrimidine,
|
| 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