| CAS Number | 1338466-50-4 |
| Catalog Number | AG01BCFT |
| Chemical Name | Methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate |
| IUPAC Name | methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate |
| InChI | InChI=1S/C10H11NO2S/c1-5-6(2)11-9-7(5)4-8(14-9)10(12)13-3/h4,11H,1-3H3 |
| InChI Key | WQZOOADPRPAIMP-UHFFFAOYSA-N |
| MDL Number | MFCD24619910 |
| Molecular Formula | C10H11NO2S |
| Molecular Weight | 209.2648 |
| SMILES | CC1=C(NC2=C1C=C(S2)C(=O)OC)C |
| Synonyms | methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate,
1338466-50-4,
AKOS027196484,
ZINC200775337,
Z2168499571,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.263g/mol |
| Monoisotopic Mass | 209.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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