≥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=CO3)N |
|---|---|
| IUPAC Name | (2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(furan-2-yl)methanone |
| InChIKey | ZWYBVFASNDKXOT-UHFFFAOYSA-N |
| INCHI | 1S/C14H15NO2S/c1-8-4-5-9-11(7-8)18-14(15)12(9)13(16)10-3-2-6-17-10/h2-3,6,8H,4-5,7,15H2,1H3 |
| Molecular Weight | 261.339 |
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 | Not available |
| Direct Parent | 3-aroylthiophenes |
| Alternative Parents | 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Aryl ketones Primary aromatic amines Vinylogous amides Heteroaromatic compounds Furans Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-aroylthiophene - 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Aryl ketone - Primary aromatic amine - 2-aminothiophene - Furan - Vinylogous amide - Heteroaromatic compound - Ketone - Oxacycle - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Aldehyde - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-aroylthiophenes. These are thiophenes which are substituted by an aroyl group at the 3-position. |
| External Descriptors | Not available |
| Molecular Weight | 261.339 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 261.082 Da |
| Monoisotopic Mass | 261.082 Da |
| Topological Polar Surface Area | 84.500 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 336.000 |
| 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 |
