≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504759469 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759469 |
| Canonical Smiles | C1=CC=C2C(=C1)C(=CS2)C(=O)O |
| IUPAC Name | 1-benzothiophene-3-carboxylic acid |
| InChIKey | DRBLTQNCQJXSNU-UHFFFAOYSA-N |
| INCHI | 1S/C9H6O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H,(H,10,11) |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=CS2)C(=O)O |
| Molecular Weight | 178.22 |
| Reaxy-Rn | 128528 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128528&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiophenes |
| Subclass | 1-benzothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzothiophenes |
| Alternative Parents | Thiophene carboxylic acids Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzothiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxylic acid - Benzenoid - Heteroaromatic compound - Thiophene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I1418075 | Certificate of Analysis | Apr 15, 2026 | B123049 |
| E1420049 | Certificate of Analysis | Feb 05, 2026 | B123049 |
| E2210010 | Certificate of Analysis | Feb 04, 2026 | B123049 |
| E2210011 | Certificate of Analysis | Feb 04, 2026 | B123049 |
| E2210012 | Certificate of Analysis | Feb 04, 2026 | B123049 |
| E2210013 | Certificate of Analysis | Feb 04, 2026 | B123049 |
| C2514652 | Certificate of Analysis | Jun 26, 2024 | B123049 |
| A2419188 | Certificate of Analysis | Nov 22, 2023 | B123049 |
| A2419189 | Certificate of Analysis | Nov 22, 2023 | B123049 |
| A2419190 | Certificate of Analysis | Nov 22, 2023 | B123049 |
| A2419191 | Certificate of Analysis | Nov 22, 2023 | B123049 |
| L1826029 | Certificate of Analysis | Oct 18, 2022 | B123049 |
| Melt Point(°C) | 174-176°C |
|---|---|
| Molecular Weight | 178.210 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 178.009 Da |
| Monoisotopic Mass | 178.009 Da |
| Topological Polar Surface Area | 65.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![Benzo[b]thiophene-3-carboxylic acid - ≥96% CAS No(5381-25-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/1/B123049.png)