3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic Acid - CAS 332099-36-2
Catalog: |
BB021601 |
Product Name: |
3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic Acid |
CAS: |
332099-36-2 |
Synonyms: |
3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid; 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
IUPAC Name: | 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
Description: | 3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic Acid (CAS# 332099-36-2) is a useful research chemical. |
Molecular Weight: | 246.08 |
Molecular Formula: | C7H4BrNO2S |
Canonical SMILES: | C1=C(NC2=C1SC=C2Br)C(=O)O |
InChI: | InChI=1S/C7H4BrNO2S/c8-3-2-12-5-1-4(7(10)11)9-6(3)5/h1-2,9H,(H,10,11) |
InChI Key: | WQGQGYADKDKACG-UHFFFAOYSA-N |
Boiling Point: | 487.436 ℃ at 760 mmHg |
Density: | 2.05 g/cm3 |
MDL: | MFCD09954156 |
LogP: | 2.69010 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020033490-A1 | Substituted thienopyrroles as pad4 inhibitors | 20180808 |
EP-3833671-A1 | Substituted thienopyrroles as pad4 inhibitors | 20180808 |
KR-20210042935-A | Substituted thienopyrrole as a PAD4 inhibitor | 20180808 |
US-2021137886-A1 | Inhibitors of metallo-beta-lactamases | 20170526 |
US-2015050371-A1 | Extract Formulations of Rhodamnia Cinerea And Uses Thereof | 20120309 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.91461 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.91461 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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