| CAS Number | 1050884-45-1 |
| Catalog Number | AG019LZE(AGN-PC-0WO2KG) |
| Chemical Name | 3,4-Dimethylthieno[2,3-b]pyridine-2-carboxylic acid |
| IUPAC Name | 3,4-dimethylthieno[2,3-b]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C10H9NO2S/c1-5-3-4-11-9-7(5)6(2)8(14-9)10(12)13/h3-4H,1-2H3,(H,12,13) |
| InChI Key | JRVUCYYNYUHHSI-UHFFFAOYSA-N |
| MDL Number | MFCD09971655 |
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.2490 |
| SMILES | CC1C2=C(N=CC=C2C)SC=1C(O)=O |
| Synonyms | 3,4-dimethylthieno[2,3-b]pyridine-2-carboxylic acid,
1050884-45-1,
AC1Q2GJD,
CTK7J1398,
ZINC20282718,
AKOS023166427,
MCULE-2936350641,
NE39086,
EN300-33480,
Z359419748,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.247g/mol |
| Monoisotopic Mass | 207.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number