| CAS Number | 1340052-38-1 |
| Catalog Number | AG019ERP |
| Chemical Name | 4-Chloro-5-ethyl-6-(methylsulfanyl)-pyrimidine |
| IUPAC Name | 4-chloro-5-ethyl-6-methylsulfanylpyrimidine |
| InChI | InChI=1S/C7H9ClN2S/c1-3-5-6(8)9-4-10-7(5)11-2/h4H,3H2,1-2H3 |
| InChI Key | TWNSRLUPJHPCBH-UHFFFAOYSA-N |
| MDL Number | MFCD18874670 |
| Molecular Formula | C7H9ClN2S |
| Molecular Weight | 188.6778 |
| SMILES | CSC1=C(CC)C(Cl)=NC=N1 |
| Synonyms | 4-Chloro-5-ethyl-6-(methylthio)pyrimidine,
4-Chloro-5-ethyl-6-(methylsulfanyl)-pyrimidine,
1340052-38-1,
AKOS013043062,
CS-0061441,
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| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.673g/mol |
| Monoisotopic Mass | 188.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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