| CAS Number | 1072944-76-3 |
| Catalog Number | AG007EV9(AGN-PC-0WADXN) |
| Chemical Name | Methyl 4-cyclopropyl-2-(methylthio)pyrimidine-5-carboxylate |
| IUPAC Name | methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate |
| InChI | InChI=1S/C10H12N2O2S/c1-14-9(13)7-5-11-10(15-2)12-8(7)6-3-4-6/h5-6H,3-4H2,1-2H3 |
| InChI Key | AHCQLIHOJARIKX-UHFFFAOYSA-N |
| MDL Number | MFCD11504925 |
| Molecular Formula | C10H12N2O2S |
| Molecular Weight | 224.2795 |
| SMILES | COC(=O)c1cnc(nc1C1CC1)SC |
| Synonyms | Methyl 4-cyclopropyl-2-(methylthio)pyrimidine-5-carboxylate,
1072944-76-3,
ACMC-2098pk,
CTK4A5169,
DTXSID00674780,
ANW-15558,
MFCD11504925,
ZINC38537223,
AKOS015840778,
RTR-001476,
AJ-95984,
AX8255908,
TR-001476,
CS-0053814,
A-4472,
I03-815,
Methyl 4-cyclopropyl-2-(methylsulfanyl)pyrimidine-5-carboxylate,
Ethyl 4-cyclopropyl-2-(methylthio)-pyrimidine-5-carboxylate,
Methyl4-cyclopropyl-2-(methylthio)pyrimidine-5-carboxylate,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.278g/mol |
| Monoisotopic Mass | 224.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number