| CAS Number | 2126161-81-5 |
| Catalog Number | AG01EJ31 |
| Chemical Name | methyl 4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylate hydrochloride |
| IUPAC Name | methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C8H9NO2S.ClH/c1-11-8(10)6-2-5-3-9-4-7(5)12-6;/h2,9H,3-4H2,1H3;1H |
| InChI Key | IGWNXOVWWALERT-UHFFFAOYSA-N |
| MDL Number | MFCD31381153 |
| Molecular Formula | C8H10ClNO2S |
| Molecular Weight | 219.6885 |
| SMILES | Cl.COC(C1SC2=C(CNC2)C=1)=O |
| Synonyms | methyl 4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylate hydrochloride,
2126161-81-5,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.683g/mol |
| Monoisotopic Mass | 219.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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