| CAS Number | 1193390-51-0 |
| Catalog Number | AG019WNT |
| Chemical Name | ethyl 5-cyano-3-methylthieno[2,3-b]pyridine-2-carboxylate |
| IUPAC Name | ethyl 5-cyano-3-methylthieno[2,3-b]pyridine-2-carboxylate |
| InChI | InChI=1S/C12H10N2O2S/c1-3-16-12(15)10-7(2)9-4-8(5-13)6-14-11(9)17-10/h4,6H,3H2,1-2H3 |
| InChI Key | WAUIWMIMPBSLCS-UHFFFAOYSA-N |
| MDL Number | MFCD12913126 |
| Molecular Formula | C12H10N2O2S |
| Molecular Weight | 246.2850 |
| SMILES | CCOC(C1=C(C)C2=C(N=CC(=C2)C#N)S1)=O |
| Synonyms | ethyl 5-cyano-3-methylthieno[2,3-b]pyridine-2-carboxylate,
1193390-51-0,
EN300-52553,
AC1Q32BZ,
CTK6F8108,
ZINC36379884,
AKOS034578209,
MCULE-3735313598,
NE15644,
Z763366326,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.284g/mol |
| Monoisotopic Mass | 246.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number