≥95% 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 | CC1CCC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)OC)N |
|---|---|
| IUPAC Name | (2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-methoxyphenyl)methanone |
| InChIKey | ANWFOIFNQMQTJN-UHFFFAOYSA-N |
| INCHI | 1S/C17H19NO2S/c1-10-3-8-13-14(9-10)21-17(18)15(13)16(19)11-4-6-12(20-2)7-5-11/h4-7,10H,3,8-9,18H2,1-2H3 |
| Molecular Weight | 301.400 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | 2-amino-3-benzoylthiophenes 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-amino-3-benzoylthiophene - Aryl-phenylketone - 3-aroylthiophene - 3,4,5-trisubstituted-2-aminothiophene - Anisole - Benzoyl - Phenol ether - Thiophene carboxylic acid or derivatives - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - 2-aminothiophene - Vinylogous amide - Thiophene - Heteroaromatic compound - Ether - Organoheterocyclic compound - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 301.400 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 301.114 Da |
| Monoisotopic Mass | 301.114 Da |
| Topological Polar Surface Area | 80.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 381.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
