CAS Registry Number: 332099-36-2

Name:

4H-​Thieno[3,​2-​b]​pyrrole-​5-​carboxylic acid, 3-​bromo-
3-​Bromo-​4H-​thieno[3,​2-​b]​pyrrole-​5-​carboxylic acid 

Chemical Formula: C7H4BrNO2S
Exact Mass: 244.91
Molecular Weight: 246.08
m/z: 246.91 (100.0%), 244.91 (98.2%), 245.92 (7.6%), 247.92 (7.4%), 248.91 (4.4%), 247.91 (1.5%), 245.91 (1.1%)

InChI: InChI=1S/C7H4BrNO2S/c8-3-2-12-5-1-4(7(10)11)9-6(3)5/h1-2,9H,(H,10,11)
InChIKey: WQGQGYADKDKACG-UHFFFAOYSA-N
Canonical SMILES : C1=C(NC2=C1SC=C2Br)C(=O)O

Specification

98%

PCT Int. Appl. (2007), WO 2007039773 A1 20070412.                                  

Bioorganic & Medicinal Chemistry Letters (2009), 19(3), 841-844.