| CAS Number | 1821370-70-0 |
| Catalog Number | AG01EO2S(AGN-PC-3H465G) |
| Chemical Name | Diethyl-pythiDC |
| IUPAC Name | ethyl 2-(5-ethoxycarbonylpyridin-2-yl)-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C14H14N2O4S/c1-3-19-13(17)9-5-6-10(15-7-9)12-16-8-11(21-12)14(18)20-4-2/h5-8H,3-4H2,1-2H3 |
| InChI Key | NSMODRMOSSBWGQ-UHFFFAOYSA-N |
| MDL Number | MFCD31715412 |
| Molecular Formula | C14H14N2O4S |
| Molecular Weight | 306.3370 |
| SMILES | C1=NC(C2=NC=C(C(OCC)=O)S2)=CC=C1C(OCC)=O |
| Synonyms | Diethyl-pythiDC,
1821370-70-0,
SCHEMBL18093555,
HY-103068,
CS-0023778,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.336g/mol |
| Monoisotopic Mass | 306.067g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number