| CAS Number | 117147-06-5 |
| Catalog Number | AG01FR6S(AGN-PC-03XGEU) |
| Chemical Name | Ethyl 4-hydrazinyl-2-(methylthio)pyrimidine-5-carboxylate |
| IUPAC Name | ethyl 4-hydrazinyl-2-methylsulfanylpyrimidine-5-carboxylate |
| InChI | InChI=1S/C8H12N4O2S/c1-3-14-7(13)5-4-10-8(15-2)11-6(5)12-9/h4H,3,9H2,1-2H3,(H,10,11,12) |
| InChI Key | ADWQLCFGVOWZGZ-UHFFFAOYSA-N |
| MDL Number | MFCD09837145 |
| Molecular Formula | C8H12N4O2S |
| Molecular Weight | 228.2715 |
| SMILES | CCOC(=O)c1cnc(nc1NN)SC |
| Synonyms | ETHYL 4-HYDRAZINYL-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE,
SCHEMBL1816274,
ADWQLCFGVOWZGZ-UHFFFAOYSA-N,
ZX-AL000845,
AKOS000320490,
5-Ethoxycarbonyl-4-hydrazino-2-methylthiopyrimidine,
ethyl 4-hydrazino-2-(methylthio)pyrimidine-5-carboxylate,
117147-06-5,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.068097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.27g/mol |
| Monoisotopic Mass | 228.068097g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 115Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number