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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)N |
|---|---|
| IUPAC Name | ethyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate |
| InChIKey | PJCFNTKRSCPMFG-UHFFFAOYSA-N |
| INCHI | 1S/C14H14ClNO2S/c1-3-18-14(17)12-11(8(2)19-13(12)16)9-4-6-10(15)7-5-9/h4-7H,3,16H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)N |
| PubChem CID | 711209 |
| Molecular Weight | 295.78 |
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 | Aminothiophenes |
| Intermediate Tree Nodes | 2-aminothiophenes |
| Direct Parent | 3,4,5-trisubstituted-2-aminothiophenes |
| Alternative Parents | Thiophene carboxylic acids and derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3,4,5-trisubstituted-2-aminothiophenes. These are organic compounds containing a thiophene ring substituted at the 2-,3-,4-, and 5-position, with an amine group at the 2-position. |
| External Descriptors | Not available |
| Molecular Weight | 295.800 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 295.043 Da |
| Monoisotopic Mass | 295.043 Da |
| Topological Polar Surface Area | 80.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 321.000 |
| 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 |
| 1. Sheli Zhang, Yuerong Yan, Wei Hu, Yunchang Fan. (2023) Mesoporous CuO Prepared in a Natural Deep Eutectic Solvent Medium for Effective Photodegradation of Rhodamine B. MOLECULES, 28 (14): (5554). [PMID:37513426] [10.3390/molecules28145554] |
| 2. Lizhen Qiao, Yuan Tao, Honglin Qin, Ruiting Niu. (2022) Multi-magnetic center ionic liquids for dispersive liquid-liquid microextraction coupled with in-situ decomposition based back-extraction for the enrichment of parabens in beverage samples. JOURNAL OF CHROMATOGRAPHY A, [PMID:36610188] [10.1016/j.chroma.2022.463771] |
