≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature,Desiccated 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.
| Canonical Smiles | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N |
|---|---|
| IUPAC Name | ethyl 2-amino-5-phenylthiophene-3-carboxylate |
| InChIKey | WIVNPGXPJBBZQH-UHFFFAOYSA-N |
| INCHI | 1S/C13H13NO2S/c1-2-16-13(15)10-8-11(17-12(10)14)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N |
| PubChem CID | 638860 |
| Molecular Weight | 247.32 |
| Reaxy-Rn | 1378242 |
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 | 2,3,5-trisubstituted thiophenes Benzene and substituted derivatives 2-aminothiophenes Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Monocyclic benzene moiety - Benzenoid - 2-aminothiophene - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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 |
| Sensitivity | Light sensitive |
|---|---|
| Melt Point(°C) | 121-123°C |
| Molecular Weight | 247.310 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 247.067 Da |
| Monoisotopic Mass | 247.067 Da |
| Topological Polar Surface Area | 80.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 266.000 |
| 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 |
H2526285