1. Primary Information
| English name: | Benzo[b]thiophene-2-carboxylic acid |
| CAS No.: | 6314-28-9 |
| Molecular formula: | C9H6O2S |
| Molecular weight: | 178.21 g/mol |
| SMILES: | C1=CC=C2C(=C1)C=C(S2)C(=O)O |
| Structural class: | |
| Other identifiers: |
benzo(b)thiophene-2-carboxylic acid BL 5583 BL-5583 thionaphthene-2-carboxylic acid thionapthene-2-carboxylic acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 120 | RT | in stock | - |
| Kehua Intelligence | 1g | 98% | 31 | RT | in stock | - |
| Kehua Intelligence | 5g | 98% | 123 | RT | in stock | - |
| Kehua Intelligence | 25g | 98% | 356 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1-benzothiophene-2-carboxylic acid
4.2 InChI
InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
4.3 InChIKey
DYSJMQABFPKAQM-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC=C2C(=C1)C=C(S2)C(=O)O
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
