| CAS Number | 929975-29-1 |
| Catalog Number | AG019KG1(AGN-PC-0WO4KT) |
| Chemical Name | 2,4-Dimethyl-6-(methylthio)pyrimidine-5-carboxylic acid |
| IUPAC Name | 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C8H10N2O2S/c1-4-6(8(11)12)7(13-3)10-5(2)9-4/h1-3H3,(H,11,12) |
| InChI Key | SGMMJXDBNPPTOD-UHFFFAOYSA-N |
| MDL Number | MFCD09040412 |
| Molecular Formula | C8H10N2O2S |
| Molecular Weight | 198.2422 |
| SMILES | CSC1=C(C(O)=O)C(C)=NC(C)=N1 |
| Synonyms | 2,4-dimethyl-6-(methylsulfanyl)pyrimidine-5-carboxylic acid,
929975-29-1,
2,4-dimethyl-6-(methylthio)pyrimidine-5-carboxylic acid,
AC1Q4GVI,
CTK7B5238,
ZINC12505297,
AKOS009115847,
MCULE-8112713956,
NE51276,
EN300-26802,
Z278101792,
5-Pyrimidinecarboxylic acid, 2,4-dimethyl-6-(methylthio),
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.24g/mol |
| Monoisotopic Mass | 198.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number