| Canonical Smiles | CCOC(=O)C1=C(SC=C1)C |
|---|---|
| IUPAC Name | ethyl 2-methylthiophene-3-carboxylate |
| InChIKey | GNOBQWZOPPOTMC-UHFFFAOYSA-N |
| INCHI | 1S/C8H10O2S/c1-3-10-8(9)7-4-5-11-6(7)2/h4-5H,3H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C1=C(SC=C1)C |
| Molecular Weight | 170.23 |
| Reaxy-Rn | 6918470 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6918470&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 Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophene carboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - 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 |
|---|---|---|---|
 J2516523 | Certificate of Analysis | Aug 13, 2025 | E182447 |
| J2516524 | Certificate of Analysis | Aug 13, 2025 | E182447 |
| J2516525 | Certificate of Analysis | Aug 13, 2025 | E182447 |
| J2516528 | Certificate of Analysis | Aug 13, 2025 | E182447 |
| Molecular Weight | 170.230 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 170.04 Da |
| Monoisotopic Mass | 170.04 Da |
| Topological Polar Surface Area | 54.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| 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 |
