| CAS Number | 94694-53-8 |
| Catalog Number | AG019OI5(AGN-PC-0LK9EJ) |
| Chemical Name | 4-Chloro-6-(chloromethyl)-2-(methylthio)pyrimidine |
| IUPAC Name | 4-chloro-6-(chloromethyl)-2-methylsulfanylpyrimidine |
| InChI | InChI=1S/C6H6Cl2N2S/c1-11-6-9-4(3-7)2-5(8)10-6/h2H,3H2,1H3 |
| InChI Key | FGHUCGUSRVUUSV-UHFFFAOYSA-N |
| MDL Number | MFCD07329989 |
| Molecular Formula | C6H6Cl2N2S |
| Molecular Weight | 209.0962 |
| SMILES | CSC1=NC(CCl)=CC(Cl)=N1 |
| Synonyms | 4-chloro-6-(chloromethyl)-2-(methylsulfanyl)pyrimidine,
94694-53-8,
4-chloro-6-(chloromethyl)-2-(methylthio)pyrimidine,
AC1NLR5V,
AC1Q4H3N,
SCHEMBL10845926,
CTK7B5273,
FGHUCGUSRVUUSV-UHFFFAOYSA-N,
ZINC4207282,
MFCD07329989,
AKOS000118369,
MCULE-4633496109,
NE50400,
EN300-14056,
4-chloro-6-chloromethyl-2-methylthiopyrimidine,
4-chloro-6-(chloromethyl)-2-methylsulfanylpyrimidine,
ZINC04207282,
CID4962798,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.088g/mol |
| Monoisotopic Mass | 207.963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number