| Pubchem Sid | 488185206 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185206 |
| Canonical Smiles | CCOC(=O)C1=CC=CS1 |
| IUPAC Name | ethyl thiophene-2-carboxylate |
| InChIKey | JZGZKRJVTIRPOK-UHFFFAOYSA-N |
| INCHI | 1S/C7H8O2S/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=CC=CS1 |
| WGK Germany | 3 |
| Molecular Weight | 156.2 |
| Beilstein | 18289 |
| Reaxy-Rn | 112678 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112678&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 | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxylic acids and derivatives |
| Alternative Parents | Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophene carboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof). |
| 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 |
|---|---|---|---|
 B1619016 | Certificate of Analysis | Oct 07, 2023 | E113851 |
| G2312841 | Certificate of Analysis | May 08, 2023 | E113851 |
| G2312843 | Certificate of Analysis | May 08, 2023 | E113851 |
| G2312844 | Certificate of Analysis | May 08, 2023 | E113851 |
| G2312847 | Certificate of Analysis | May 08, 2023 | E113851 |
| G2312848 | Certificate of Analysis | May 08, 2023 | E113851 |
| G2312851 | Certificate of Analysis | May 08, 2023 | E113851 |
| G2312852 | Certificate of Analysis | May 08, 2023 | E113851 |
| G2312853 | Certificate of Analysis | May 08, 2023 | E113851 |
| G2312856 | Certificate of Analysis | May 08, 2023 | E113851 |
| G2312858 | Certificate of Analysis | May 08, 2023 | E113851 |
| G2312861 | Certificate of Analysis | May 08, 2023 | E113851 |
| G2312957 | Certificate of Analysis | May 08, 2023 | E113851 |
| J2225108 | Certificate of Analysis | Oct 31, 2022 | E113851 |
| Sensitivity | Air Sensitive |
|---|---|
| Refractive Index | 1.525-1.527 |
| Flash Point(°F) | 192.2 °F |
| Flash Point(°C) | 88℃ |
| Boil Point(°C) | 218°C |
| Molecular Weight | 156.200 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 156.025 Da |
| Monoisotopic Mass | 156.025 Da |
| Topological Polar Surface Area | 54.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 125.000 |
| 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 |
