Methyl 3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate - CAS 1105187-36-7
Catalog: |
BB002635 |
Product Name: |
Methyl 3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate |
CAS: |
1105187-36-7 |
Synonyms: |
3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid methyl ester; methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate |
IUPAC Name: | methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate |
Description: | Methyl 3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS# 1105187-36-7) is a useful research chemical. |
Molecular Weight: | 260.11 |
Molecular Formula: | C8H6BrNO2S |
Canonical SMILES: | COC(=O)C1=CC2=C(N1)C(=CS2)Br |
InChI: | InChI=1S/C8H6BrNO2S/c1-12-8(11)5-2-6-7(10-5)4(9)3-13-6/h2-3,10H,1H3 |
InChI Key: | FZMSYEZKZFUHPQ-UHFFFAOYSA-N |
MDL: | MFCD11973824 |
LogP: | 2.77850 |
Publication Number | Title | Priority Date |
EP-3630777-A1 | Inhibitors of metallo-beta-lactamases | 20170526 |
WO-2018215800-A1 | Inhibitors of metallo-beta-lactamases | 20170526 |
US-2021137886-A1 | Inhibitors of metallo-beta-lactamases | 20170526 |
AU-2012236377-A1 | Methods for treating drug-resistant hepatitis C virus infection with a 5,5-fused arylene or heteroarylene hepatitis C virus inhibitor | 20110331 |
CA-2831822-A1 | Methods for treating drug-resistant hepatitis c virus infection with a 5,5-fused arylene or heteroarylene hepatitis c virus inhibitor | 20110331 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.93026 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.93026 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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