CAS Registry Number: 100523-84-0

Name:

3-​Thiophenecarboxylic acid, 5-​bromo-
2-​Bromothiophene-​4-​carboxylic acid; 5-​Bromo-​3-​thiophenecarboxylic acid 

Chemical Formula: C5H3BrO2S
Exact Mass: 205.90
Molecular Weight: 207.05
m/z: 207.90 (100.0%), 205.90 (98.2%), 206.91 (5.4%), 208.91 (5.3%), 209.90 (4.4%), 208.90 (1.0%)
Elemental Analysis: C, 29.01; H, 1.46; Br, 38.59; O, 15.45; S, 15.49

InChI: InChI=1S/C5H3BrO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
InChIKey: YCNXGPMGMAKDPM-UHFFFAOYSA-N
Canonical SMILES : C1=C(SC=C1C(=O)O)Br

Specification

98%

1. (1) Fournari, Pierre; Bulletin de la Societe Chimique de France 1967, (11), P4115-20 CAPLUS
2. (2) Sakamoto, Kazuya; Organic Letters 2011, V13(4), P672-675 CAPLUS
3. (3) Campaigne, E. E.; Journal of the American Chemical Society 1954, V76, P2445-7 CAPLUS