≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | CC1=C(SC(=C1C(=O)OC)N)C(=O)OC |
|---|---|
| IUPAC Name | dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate |
| InChIKey | JNLHLSOENLVUIJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H11NO4S/c1-4-5(8(11)13-2)7(10)15-6(4)9(12)14-3/h10H2,1-3H3 |
| Isomeric SMILES | CC1=C(SC(=C1C(=O)OC)N)C(=O)OC |
| PubChem CID | 607607 |
| Molecular Weight | 229.26 |
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 Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Methyl ester - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organopnictogen compound - Amine - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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 | 229.260 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 229.041 Da |
| Monoisotopic Mass | 229.041 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 271.000 |
| 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 |
I2504288