for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC(=CC(=O)C1=CC=CS1)N(C)C |
|---|---|
| IUPAC Name | (E)-3-(dimethylamino)-1-thiophen-2-ylbut-2-en-1-one |
| InChIKey | NXGSXJMLDZJGIZ-BQYQJAHWSA-N |
| INCHI | 1S/C10H13NOS/c1-8(11(2)3)7-9(12)10-5-4-6-13-10/h4-7H,1-3H3/b8-7+ |
| Isomeric SMILES | C/C(=C\C(=O)C1=CC=CS1)/N(C)C |
| Molecular Weight | 195.28 |
| Reaxy-Rn | 7988250 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7988250&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Aryl ketones |
| Alternative Parents | Vinylogous amides Thiophenes Heteroaromatic compounds Enones Acryloyl compounds Trialkylamines Enamines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl ketone - Acryloyl-group - Enone - Thiophene - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated ketone - Tertiary amine - Tertiary aliphatic amine - Enamine - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group. |
| External Descriptors | Not available |
| Molecular Weight | 195.280 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 195.072 Da |
| Monoisotopic Mass | 195.072 Da |
| Topological Polar Surface Area | 48.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 223.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
