≥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(=CC(=C3)OC)OC)N |
|---|---|
| IUPAC Name | (2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3,5-dimethoxyphenyl)methanone |
| InChIKey | OEYBEDPNONVHAN-UHFFFAOYSA-N |
| INCHI | 1S/C18H21NO3S/c1-10-4-5-14-15(6-10)23-18(19)16(14)17(20)11-7-12(21-2)9-13(8-11)22-3/h7-10H,4-6,19H2,1-3H3 |
| Molecular Weight | 331.4 |
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 - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | 2-amino-3-benzoylthiophenes Dimethoxybenzenes 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl-phenylketone - 2-amino-3-benzoylthiophene - 3-aroylthiophene - M-dimethoxybenzene - Dimethoxybenzene - 3,4,5-trisubstituted-2-aminothiophene - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - 2-aminothiophene - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous amide - Ether - Organoheterocyclic compound - Amine - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - 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 | 331.400 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 331.124 Da |
| Monoisotopic Mass | 331.124 Da |
| Topological Polar Surface Area | 89.800 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 420.000 |
| 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 |
