≥98%(GC) 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.
| Pubchem Sid | 488185640 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185640 |
| Canonical Smiles | C1=CC=C(C=C1)SCC#N |
| IUPAC Name | 2-phenylsulfanylacetonitrile |
| InChIKey | QMJWPWCKRKHUNY-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2 |
| Isomeric SMILES | C1=CC=C(C=C1)SCC#N |
| RTECS | AM1900000 |
| PubChem CID | 78891 |
| Molecular Weight | 149.21 |
| Beilstein | 6(4)1538 |
| Reaxy-Rn | 2042078 |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Sulfenyl compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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 |
|---|---|---|---|
 C1820176 | Certificate of Analysis | Oct 14, 2025 | P160109 |
| C1820175 | Certificate of Analysis | Oct 14, 2025 | P160109 |
| K2412280 | Certificate of Analysis | Nov 18, 2024 | P160109 |
| I2025179 | Certificate of Analysis | Jul 04, 2024 | P160109 |
| Solubility | Not miscible or difficult to mix in water. |
|---|---|
| Refractive Index | 1.58 |
| Boil Point(°C) | 146°C/14mmHg(lit.) |
| Molecular Weight | 149.210 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 149.03 Da |
| Monoisotopic Mass | 149.03 Da |
| Topological Polar Surface Area | 49.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 129.000 |
| 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 |
