| CAS Number | 16490-19-0 |
| Catalog Number | AG019UC5(AGN-PC-0WO0CQ) |
| Chemical Name | 6-Methyl-2-(methylthio)pyrimidine-4-carboxylic acid |
| IUPAC Name | 6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C7H8N2O2S/c1-4-3-5(6(10)11)9-7(8-4)12-2/h3H,1-2H3,(H,10,11) |
| InChI Key | IKUATPPOUXOXJY-UHFFFAOYSA-N |
| MDL Number | MFCD11839775 |
| Molecular Formula | C7H8N2O2S |
| Molecular Weight | 184.2156 |
| SMILES | CSC1=NC(C(O)=O)=CC(C)=N1 |
| Synonyms | 16490-19-0,
6-methyl-2-(methylthio)pyrimidine-4-carboxylic acid,
6-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid,
6-methyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid,
AC1Q4H30,
SCHEMBL14510449,
CTK7B5236,
ZINC32628029,
AKOS022912865,
MCULE-1586153573,
NE61504,
NCGC00333310-01,
EN300-41215,
AB01002786-01,
AB01002786-03,
Z425449764,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.213g/mol |
| Monoisotopic Mass | 184.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number