Determine the necessary mass, volume, or concentration for preparing a solution.
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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| ALogP | 1.4 |
|---|
| Canonical Smiles | CN(C)C1=C2C(=C(SC2=NC=C1)C(=O)N)N |
|---|---|
| InChIKey | APQCIRNWAACMSD-UHFFFAOYSA-N |
| INCHI | 1S/C10H12N4OS/c1-14(2)5-3-4-13-10-6(5)7(11)8(16-10)9(12)15/h3-4H,11H2,1-2H3,(H2,12,15) |
| Isomeric SMILES | CN(C)C1=C2C(=C(SC2=NC=C1)C(=O)N)N |
| PubChem CID | 759785 |
| Molecular Weight | 236.3 |
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 | Thienopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyridines |
| Alternative Parents | Pyridinecarboxamides Thiophene carboxamides 2-heteroaryl carboxamides Dialkylarylamines Aminopyridines and derivatives Aminothiophenes Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organic oxides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyridine - Pyridinecarboxamide - Tertiary aliphatic/aromatic amine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Dialkylarylamine - Aminopyridine - Pyridine - Aminothiophene - Vinylogous amide - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
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| Molecular Weight | 236.300 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 236.073 Da |
| Monoisotopic Mass | 236.073 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 286.000 |
| 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 |