| CAS Number | 926199-22-6 |
| Catalog Number | AG019L1B(AGN-PC-0WODB9) |
| Chemical Name | 4-methyl-6-(methylsulfanyl)-2-(propan-2-yl)pyrimidine-5-carboxylic acid |
| IUPAC Name | 4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C10H14N2O2S/c1-5(2)8-11-6(3)7(10(13)14)9(12-8)15-4/h5H,1-4H3,(H,13,14) |
| InChI Key | XALUAHKMELSHCZ-UHFFFAOYSA-N |
| MDL Number | MFCD09044518 |
| Molecular Formula | C10H14N2O2S |
| Molecular Weight | 226.2954 |
| SMILES | CSC1=C(C(O)=O)C(C)=NC(C(C)C)=N1 |
| Synonyms | 4-methyl-6-(methylsulfanyl)-2-(propan-2-yl)pyrimidine-5-carboxylic acid,
926199-22-6,
2-isopropyl-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid,
AC1Q4GVD,
CTK7B5329,
ZINC12769728,
AKOS000128595,
MCULE-4562354373,
NE45267,
EN300-29492,
Z235351485,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.294g/mol |
| Monoisotopic Mass | 226.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number