≥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.
| Pubchem Sid | 504762999 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762999 |
| Canonical Smiles | C1=CNC(=S)C(=C1)C#N |
| IUPAC Name | 2-sulfanylidene-1H-pyridine-3-carbonitrile |
| InChIKey | VKEKYGNDJZUZTL-UHFFFAOYSA-N |
| INCHI | 1S/C6H4N2S/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9) |
| Isomeric SMILES | C1=CNC(=S)C(=C1)C#N |
| Molecular Weight | 136.18 |
| Reaxy-Rn | 4661671 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4661671&ln= |
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 | Pyridines and derivatives |
| Subclass | 3-pyridinecarbonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-pyridinecarbonitriles |
| Alternative Parents | Dihydropyridines Thiolactams Heteroaromatic compounds Nitriles Azacyclic compounds Organosulfur compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-pyridinecarbonitrile - Dihydropyridine - Hydropyridine - Heteroaromatic compound - Thiolactam - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2318491 | Certificate of Analysis | Sep 20, 2023 | M467317 |
| J2318492 | Certificate of Analysis | Sep 20, 2023 | M467317 |
| J2318493 | Certificate of Analysis | Sep 20, 2023 | M467317 |
| J2318494 | Certificate of Analysis | Sep 20, 2023 | M467317 |
| J2318495 | Certificate of Analysis | Sep 20, 2023 | M467317 |
| J2318496 | Certificate of Analysis | Sep 20, 2023 | M467317 |
| Melt Point(°C) | 250-260 °C |
|---|---|
| Molecular Weight | 136.180 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 136.01 Da |
| Monoisotopic Mass | 136.01 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 241.000 |
| 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 |
