| CAS Number | 923738-50-5 |
| Catalog Number | AG00GUDT |
| Chemical Name | ETHYL 6-CHLORO-3,4-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE |
| IUPAC Name | ethyl 6-chloro-3,4-dimethylthieno[2,3-b]pyridine-2-carboxylate |
| InChI | InChI=1S/C12H12ClNO2S/c1-4-16-12(15)10-7(3)9-6(2)5-8(13)14-11(9)17-10/h5H,4H2,1-3H3 |
| InChI Key | IGYCPQFKFIWYPV-UHFFFAOYSA-N |
| MDL Number | MFCD08691337 |
| Molecular Formula | C12H12ClNO2S |
| Molecular Weight | 269.7472 |
| SMILES | O=C(C1=C(C)C2=C(C)C=C(Cl)N=C2S1)OCC |
| Synonyms | ethyl 6-chloro-3,4-dimethylthieno[2,3-b]pyridine-2-carboxylate,
923738-50-5,
AC1Q32BI,
CTK6F8082,
ZINC9690936,
SBB078316,
AKOS005137211,
MCULE-6020339787,
NE39559,
EN300-26422,
J-521186,
ethyl 6-chloro-3,4-dimethylthiopheno[2,3-b]pyridine-2-carboxylate,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.743g/mol |
| Monoisotopic Mass | 269.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number