| CAS Number | 1065075-76-4 |
| Catalog Number | AG00HATW |
| Chemical Name | 4-(DIMETHYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID |
| IUPAC Name | 4-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C8H11N3O2S/c1-11(2)6-5(7(12)13)4-9-8(10-6)14-3/h4H,1-3H3,(H,12,13) |
| InChI Key | FOIJKEKGYNMKBR-UHFFFAOYSA-N |
| MDL Number | MFCD11100931 |
| Molecular Formula | C8H11N3O2S |
| Molecular Weight | 213.2568 |
| SMILES | CSC1=NC(N(C)C)=C(C=N1)C(O)=O |
| Synonyms | 4-(DIMETHYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID,
1065075-76-4,
CTK7B5427,
AR3329,
MFCD11100931,
ZINC35287601,
AKOS027334984,
AS-45583,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.255g/mol |
| Monoisotopic Mass | 213.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number