| CAS Number | 400877-89-6 |
| Catalog Number | AG019K5I(AGN-PC-0WOCGV) |
| Chemical Name | 3,4,6-Trimethylthieno[2,3-b]pyridine-2-carboxylic Acid |
| IUPAC Name | 3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C11H11NO2S/c1-5-4-6(2)12-10-8(5)7(3)9(15-10)11(13)14/h4H,1-3H3,(H,13,14) |
| InChI Key | QAGQDZRYEZEPNX-UHFFFAOYSA-N |
| MDL Number | MFCD02656571 |
| Molecular Formula | C11H11NO2S |
| Molecular Weight | 221.2755 |
| SMILES | CC1C2=C(N=C(C=C2C)C)SC=1C(O)=O |
| Synonyms | 3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxylic acid,
400877-89-6,
AC1Q2GJC,
CTK6B4803,
SBB078309,
ZINC20268641,
AKOS001295522,
MCULE-1286002947,
NE50456,
EN300-25607,
Z217102770,
3,4,6-trimethylthiopheno[2,3-b]pyridine-2-carboxylic acid,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.274g/mol |
| Monoisotopic Mass | 221.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number