≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged 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 | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)N |
|---|---|
| IUPAC Name | 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| InChIKey | QDIYAWBTKKYATE-UHFFFAOYSA-N |
| INCHI | 1S/C13H18N2S/c1-13(2,3)8-4-5-9-10(7-14)12(15)16-11(9)6-8/h8H,4-6,15H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)N |
| PubChem CID | 616417 |
| Molecular Weight | 234.37 |
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 | Aminothiophenes |
| Intermediate Tree Nodes | 2-aminothiophenes |
| Direct Parent | 3,4,5-trisubstituted-2-aminothiophenes |
| Alternative Parents | Heteroaromatic compounds Nitriles Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3,4,5-trisubstituted-2-aminothiophene - Heteroaromatic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3,4,5-trisubstituted-2-aminothiophenes. These are organic compounds containing a thiophene ring substituted at the 2-,3-,4-, and 5-position, with an amine group at the 2-position. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2515180 | Certificate of Analysis | Jul 02, 2025 | A698484 |
| I2515199 | Certificate of Analysis | Jul 02, 2025 | A698484 |
| I2515200 | Certificate of Analysis | Jul 02, 2025 | A698484 |
| I2515201 | Certificate of Analysis | Jul 02, 2025 | A698484 |
| Molecular Weight | 234.360 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 234.119 Da |
| Monoisotopic Mass | 234.119 Da |
| Topological Polar Surface Area | 78.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 312.000 |
| 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 |
