≥95% 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 | CC(=O)C1=C(C(=C(S1)SC)C#N)N |
|---|---|
| IUPAC Name | 5-acetyl-4-amino-2-methylsulfanylthiophene-3-carbonitrile |
| InChIKey | LXFAMKKOJROSOB-UHFFFAOYSA-N |
| INCHI | 1S/C8H8N2OS2/c1-4(11)7-6(10)5(3-9)8(12-2)13-7/h10H2,1-2H3 |
| Isomeric SMILES | CC(=O)C1=C(C(=C(S1)SC)C#N)N |
| PubChem CID | 607580 |
| Molecular Weight | 212.3 |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Aryl alkyl ketones Alkylarylthioethers Aminothiophenes Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Nitriles Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Aryl ketone - Aryl alkyl ketone - Alkylarylthioether - Aminothiophene - Thiophene - Vinylogous amide - Heteroaromatic compound - Ketone - Sulfenyl compound - Nitrile - Carbonitrile - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 212.300 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 212.008 Da |
| Monoisotopic Mass | 212.008 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 260.000 |
| 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 |
