≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light 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)C2=CC=C(C=C2)Cl)N)C |
|---|---|
| IUPAC Name | (2-amino-4,5-dimethylthiophen-3-yl)-(4-chlorophenyl)methanone |
| InChIKey | FZCFEGHYRWGCEB-UHFFFAOYSA-N |
| INCHI | 1S/C13H12ClNOS/c1-7-8(2)17-13(15)11(7)12(16)9-3-5-10(14)6-4-9/h3-6H,15H2,1-2H3 |
| Isomeric SMILES | CC1=C(SC(=C1C(=O)C2=CC=C(C=C2)Cl)N)C |
| PubChem CID | 719710 |
| Molecular Weight | 265.76 |
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 | 3-aroylthiophenes |
| Intermediate Tree Nodes | 2-amino-3-aroylthiophenes |
| Direct Parent | 2-amino-3-aroyl-4,5-alkylthiophenes |
| Alternative Parents | Aryl-phenylketones 2-amino-3-benzoylthiophenes 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Primary amines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-amino-3-aroyl-4,5-alkylthiophene - 2-amino-3-benzoylthiophene - Aryl-phenylketone - 3,4,5-trisubstituted-2-aminothiophene - Benzoyl - Thiophene carboxylic acid or derivatives - Aryl ketone - Chlorobenzene - Halobenzene - 2-aminothiophene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Ketone - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-amino-3-aroyl-4,5-alkylthiophenes. These are 3-aroylthiophenes which are substituted at the 2-position by an amine group and the 4-, and 5-position by an alkyl group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 265.760 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 265.033 Da |
| Monoisotopic Mass | 265.033 Da |
| Topological Polar Surface Area | 71.300 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 291.000 |
| 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 |
