| CAS Number | 926249-08-3 |
| Catalog Number | AG019KU4 |
| Chemical Name | 4-Methyl-6-(methylthio)-2-thien-2-ylpyrimidine-5-carboxylic acid |
| IUPAC Name | 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C11H10N2O2S2/c1-6-8(11(14)15)10(16-2)13-9(12-6)7-4-3-5-17-7/h3-5H,1-2H3,(H,14,15) |
| InChI Key | FDCAWGPFJRTRPR-UHFFFAOYSA-N |
| MDL Number | MFCD09046678 |
| Molecular Formula | C11H10N2O2S2 |
| Molecular Weight | 266.3393 |
| SMILES | CSC1=C(C(O)=O)C(C)=NC(C2SC=CC=2)=N1 |
| Synonyms | 4-methyl-6-(methylsulfanyl)-2-(thiophen-2-yl)pyrimidine-5-carboxylic acid,
926249-08-3,
4-methyl-6-(methylthio)-2-thien-2-ylpyrimidine-5-carboxylic acid,
AC1Q4GVG,
CTK7B5336,
ZINC12505733,
AKOS000130237,
MCULE-6539070892,
NE52922,
EN300-28442,
Z235348087,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.333g/mol |
| Monoisotopic Mass | 266.018g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number