| CAS Number | 941096-30-6 |
| Catalog Number | AG019KU3 |
| Chemical Name | 2-(Furan-2-yl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carboxylic acid |
| IUPAC Name | 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C11H10N2O3S/c1-6-8(11(14)15)10(17-2)13-9(12-6)7-4-3-5-16-7/h3-5H,1-2H3,(H,14,15) |
| InChI Key | PGNDWIUHNXRXQF-UHFFFAOYSA-N |
| MDL Number | MFCD09403768 |
| Molecular Formula | C11H10N2O3S |
| Molecular Weight | 250.2737 |
| SMILES | CSC1=C(C(O)=O)C(C)=NC(C2OC=CC=2)=N1 |
| Synonyms | 2-(furan-2-yl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carboxylic acid,
941096-30-6,
2-(2-furyl)-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid,
AC1Q4GVF,
CTK7B5335,
ZINC12505732,
AKOS033871284,
MCULE-6483552682,
NE22009,
EN300-28440,
AB00783495-01,
Z235348097,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.272g/mol |
| Monoisotopic Mass | 250.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number