≥97% 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 | C1CCC2=C(CC1)SC(=C2C(=O)NCC3=CC=CC=C3)N |
|---|---|
| IUPAC Name | 2-amino-N-benzyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| InChIKey | GMNBFHFRZUGTDM-UHFFFAOYSA-N |
| INCHI | 1S/C17H20N2OS/c18-16-15(13-9-5-2-6-10-14(13)21-16)17(20)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,18H2,(H,19,20) |
| Molecular Weight | 300.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Cycloheptathiophenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cycloheptathiophenes |
| Alternative Parents | 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxamides Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cycloheptathiophene - 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - 2-aminothiophene - Vinylogous amide - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. |
| External Descriptors | Not available |
| Molecular Weight | 300.400 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 300.13 Da |
| Monoisotopic Mass | 300.13 Da |
| Topological Polar Surface Area | 83.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 357.000 |
| 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 |
![2-amino-N-benzyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide - ≥97% , CAS No.588692-39-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)