| CAS Number | 923229-48-5 |
| Catalog Number | AG019K5C |
| Chemical Name | ethyl 4-(chloromethyl)-3-methyl-6-oxo-6H,7H-thieno[2,3-b]pyridine-2-carboxylate |
| IUPAC Name | ethyl 4-(chloromethyl)-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate |
| InChI | InChI=1S/C12H12ClNO3S/c1-3-17-12(16)10-6(2)9-7(5-13)4-8(15)14-11(9)18-10/h4H,3,5H2,1-2H3,(H,14,15) |
| InChI Key | NHTHHQGYRVVXKD-UHFFFAOYSA-N |
| MDL Number | MFCD08444425 |
| Molecular Formula | C12H12ClNO3S |
| Molecular Weight | 285.7466 |
| SMILES | CCOC(C1=C(C)C2=C(NC(C=C2CCl)=O)S1)=O |
| Synonyms | ethyl 4-(chloromethyl)-3-methyl-6-oxo-6H,7H-thieno[2,3-b]pyridine-2-carboxylate,
ethyl 4-(chloromethyl)-3-methyl-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-2-carboxylate,
923229-48-5,
AC1Q32B3,
CTK6F8083,
ZINC9738213,
SBB078308,
AKOS005137193,
MCULE-1918862184,
NE13869,
EN300-25584,
ethyl 4-(chloromethyl)-3-methyl-6-oxo-7-hydrothiopheno[2,3-b]pyridine-2-carbox ylate,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.742g/mol |
| Monoisotopic Mass | 285.023g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number