≥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 | CC1=C(C=NN1C)C2=C(C(=S)NC(=C2)C(F)F)C#N |
|---|---|
| IUPAC Name | 6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile |
| InChIKey | TVBTXDXTBAYPGN-UHFFFAOYSA-N |
| INCHI | 1S/C12H10F2N4S/c1-6-9(5-16-18(6)2)7-3-10(11(13)14)17-12(19)8(7)4-15/h3,5,11H,1-2H3,(H,17,19) |
| Isomeric SMILES | CC1=C(C=NN1C)C2=C(C(=S)NC(=C2)C(F)F)C#N |
| PubChem CID | 7019356 |
| Molecular Weight | 280.3 |
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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | 3-pyridinecarbonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-pyridinecarbonitriles |
| Alternative Parents | Dihydropyridines Thiolactams Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organosulfur compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-pyridinecarbonitrile - Dihydropyridine - Hydropyridine - Azole - Heteroaromatic compound - Pyrazole - Thiolactam - Carbonitrile - Nitrile - Azacycle - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group. |
| External Descriptors | Not available |
| Molecular Weight | 280.300 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 280.059 Da |
| Monoisotopic Mass | 280.059 Da |
| Topological Polar Surface Area | 85.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 517.000 |
| 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 |
