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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N=NC2=C(CCCC2=O)O |
|---|---|
| IUPAC Name | diethyl 5-[(2-hydroxy-6-oxocyclohexen-1-yl)diazenyl]-3-methylthiophene-2,4-dicarboxylate |
| InChIKey | HZBXXVJURNGJJY-UHFFFAOYSA-N |
| INCHI | 1S/C17H20N2O6S/c1-4-24-16(22)12-9(3)14(17(23)25-5-2)26-15(12)19-18-13-10(20)7-6-8-11(13)21/h20H,4-8H2,1-3H3 |
| Molecular Weight | 380.4 |
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 | Fatty acid esters Cyclohexenones Vinylogous thioesters Dicarboxylic acids and derivatives Alpha-branched alpha,beta-unsaturated ketones Vinylogous acids Heteroaromatic compounds Enones Enoate esters Acryloyl compounds Thioenol ethers Azo compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophene carboxylic acid or derivatives - Cyclohexenone - Fatty acid ester - Vinylogous thioester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Dicarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enone - Acryloyl-group - Cyclic ketone - Thioenolether - Ketone - Carboxylic acid ester - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen 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 |
| Molecular Weight | 380.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 380.104 Da |
| Monoisotopic Mass | 380.104 Da |
| Topological Polar Surface Area | 143.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 633.000 |
| 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 |
![5-[2-(2,6-Dioxocyclohexylidene)hydrazinyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester , CAS No.301688-23-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)