| CAS Number | 109414-76-8 |
| Catalog Number | AG00HBGS(AGN-PC-03IXXR) |
| Chemical Name | Pyrimidine, 4,6-dichloro-5-methyl-2-(methylthio)- |
| IUPAC Name | 4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine |
| InChI | InChI=1S/C6H6Cl2N2S/c1-3-4(7)9-6(11-2)10-5(3)8/h1-2H3 |
| InChI Key | HMZPZWSEUHDAKM-UHFFFAOYSA-N |
| MDL Number | MFCD22417220 |
| Molecular Formula | C6H6Cl2N2S |
| Molecular Weight | 209.0962 |
| SMILES | CSC1=NC(Cl)=C(C)C(Cl)=N1 |
| Synonyms | 4,6-dichloro-5-methyl-2-(methylthio)pyrimidine,
109414-76-8,
SCHEMBL75623,
HMZPZWSEUHDAKM-UHFFFAOYSA-N,
MFCD22417220,
ZINC86029367,
AKOS027339002,
AS-36703,
Pyrimidine, 4,6-dichloro-5-methyl-2-(methylthio)-,
4,6-Dichloro-5-methyl-2-(methylthio)pyrimidine, 97%,
|
| Complexity | 124 |
| 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 | 1 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H314
|
|
Packing Group
|
Ⅱ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 3263
|
Certificate of Analysis
Lot Number