6-ethyl-6H-thieno[2,3-b]pyrrole-5-carboxylic acid - CAS 1193239-17-6
Catalog: |
BB004466 |
Product Name: |
6-ethyl-6H-thieno[2,3-b]pyrrole-5-carboxylic acid |
CAS: |
1193239-17-6 |
Synonyms: |
6-ethyl-5-thieno[2,3-b]pyrrolecarboxylic acid; 6-ethylthieno[2,3-b]pyrrole-5-carboxylic acid |
IUPAC Name: | 6-ethylthieno[2,3-b]pyrrole-5-carboxylic acid |
Description: | 6-ethyl-6H-thieno[2,3-b]pyrrole-5-carboxylic acid (CAS# 1193239-17-6 ) is a useful research chemical. |
Molecular Weight: | 195.236 |
Molecular Formula: | C9H9NO2S |
Canonical SMILES: | CCN1C(=CC2=C1SC=C2)C(=O)O |
InChI: | InChI=1S/C9H9NO2S/c1-2-10-7(9(11)12)5-6-3-4-13-8(6)10/h3-5H,2H2,1H3,(H,11,12) |
InChI Key: | HRSYPLDILWVFIX-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-3189059-A2 | Thienopyrroles as histone demethylase inhibitors | 20140905 |
US-10183952-B2 | Thienopyrroles as histone demethylase inhibitors | 20140905 |
US-2017260197-A1 | Thienopyrroles as histone demethylase inhibitors | 20140905 |
WO-2016034946-A2 | Thienopyrroles as histone demethylase inhibitors | 20140905 |
US-2013178453-A1 | Cannabinoid Agonists | 20100209 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0353997 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0353997 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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