| CAS Number | 159084-44-3 |
| Catalog Number | AG01ANAX |
| Chemical Name | Methyl thieno[3,2-b]pyridine-5-carboxylate |
| IUPAC Name | methyl thieno[3,2-b]pyridine-5-carboxylate |
| InChI | InChI=1S/C9H7NO2S/c1-12-9(11)7-2-3-8-6(10-7)4-5-13-8/h2-5H,1H3 |
| InChI Key | GNXOMTZDQFHWEL-UHFFFAOYSA-N |
| MDL Number | MFCD22552911 |
| Molecular Formula | C9H7NO2S |
| Molecular Weight | 193.2224 |
| SMILES | COC(C1=NC2=C(SC=C2)C=C1)=O |
| Synonyms | methyl thieno[3,2-b]pyridine-5-carboxylate,
159084-44-3,
Thieno[3,2-b]pyridine-5-carboxylic acid methyl ester,
SCHEMBL7534470,
GNXOMTZDQFHWEL-UHFFFAOYSA-N,
AKOS027196670,
ZINC139403074,
AS-44098,
FT-0767819,
Thieno[3,2-b]pyridine-5-carboxylic acid, methyl ester,
Z2236664032,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.22g/mol |
| Monoisotopic Mass | 193.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number