| CAS Number | 1820639-45-9 |
| Catalog Number | AG01FM07(AGN-PC-0WCOCX) |
| Chemical Name | 3-(methylthio)-1-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propan-1-amine oxalate |
| IUPAC Name | 3-methylsulfanyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine;oxalic acid |
| InChI | InChI=1S/C11H14N4OS.C2H2O4/c1-17-7-4-9(12)11-14-10(15-16-11)8-2-5-13-6-3-8;3-1(4)2(5)6/h2-3,5-6,9H,4,7,12H2,1H3;(H,3,4)(H,5,6) |
| InChI Key | PVWCFGCGQOVUNU-UHFFFAOYSA-N |
| MDL Number | MFCD28370005 |
| Molecular Formula | C13H16N4O5S |
| Molecular Weight | 340.3549 |
| SMILES | CSCCC(N)C1=NC(=NO1)C2=CC=NC=C2.OC(=O)C(O)=O |
| Synonyms | 3-(methylthio)-1-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propan-1-amine oxalate,
1820639-45-9,
AKOS026677183,
F2185-0137,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.354g/mol |
| Monoisotopic Mass | 340.084g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 178A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number