| CAS Number | 1343398-23-1 |
| Catalog Number | AG019EXZ |
| Chemical Name | 4-Chloro-5-methyl-6-(methylsulfanyl)pyrimidine |
| IUPAC Name | 4-chloro-5-methyl-6-methylsulfanylpyrimidine |
| InChI | InChI=1S/C6H7ClN2S/c1-4-5(7)8-3-9-6(4)10-2/h3H,1-2H3 |
| InChI Key | RRJACBXMCOBFBI-UHFFFAOYSA-N |
| MDL Number | MFCD18874668 |
| Molecular Formula | C6H7ClN2S |
| Molecular Weight | 174.6512 |
| SMILES | CSc1ncnc(Cl)c1C |
| Synonyms | 4-chloro-5-methyl-6-(methylsulfanyl)pyrimidine,
4-chloro-5-methyl-6-(methylthio)pyrimidine,
1343398-23-1,
AKOS013042852,
CS-0062036,
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| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.646g/mol |
| Monoisotopic Mass | 174.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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