≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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#N)NC(=O)CC#N)C(=O)N(C)C |
|---|---|
| IUPAC Name | 4-cyano-5-[(2-cyanoacetyl)amino]-N,N,3-trimethylthiophene-2-carboxamide |
| InChIKey | RPYIJKCWDWKRML-UHFFFAOYSA-N |
| INCHI | 1S/C12H12N4O2S/c1-7-8(6-14)11(15-9(17)4-5-13)19-10(7)12(18)16(2)3/h4H2,1-3H3,(H,15,17) |
| Isomeric SMILES | CC1=C(SC(=C1C#N)NC(=O)CC#N)C(=O)N(C)C |
| Alternate CAS | 667412-92-2 |
| PubChem CID | 17371230 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 carboxamides |
| Alternative Parents | N-arylamides 2-heteroaryl carboxamides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Thiophene carboxamide - N-arylamide - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide. |
| External Descriptors | Not available |
| Molecular Weight | 276.320 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 276.068 Da |
| Monoisotopic Mass | 276.068 Da |
| Topological Polar Surface Area | 125.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 473.000 |
| 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 |
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