| CAS Number | 848243-85-6 |
| Catalog Number | AG01B8DL(AGN-PC-050RBD) |
| Chemical Name | Ethyl 4H-thieno[3,2-b]pyrrole-2-carboxylate |
| IUPAC Name | ethyl 4H-thieno[3,2-b]pyrrole-2-carboxylate |
| InChI | InChI=1S/C9H9NO2S/c1-2-12-9(11)8-5-6-7(13-8)3-4-10-6/h3-5,10H,2H2,1H3 |
| InChI Key | GTLCVBJBTFWUDH-UHFFFAOYSA-N |
| MDL Number | MFCD20528154 |
| Molecular Formula | C9H9NO2S |
| Molecular Weight | 195.2383 |
| SMILES | CCOC(C1SC2=C(NC=C2)C=1)=O |
| Synonyms | ethyl 4H-thieno[3,2-b]pyrrole-2-carboxylate,
848243-85-6,
4H-Thieno[3,2-b]pyrrole-2-carboxylic acid, ethyl ester,
SCHEMBL2984903,
DTXSID70649506,
GTLCVBJBTFWUDH-UHFFFAOYSA-N,
ZINC59242535,
AKOS030625202,
CS-0080389,
Z1960687405,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.236g/mol |
| Monoisotopic Mass | 195.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number