≥98% 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.
General description：
Surface-enhanced Raman scattering of 4-(methylthio)benzonitrile adsorbed on silver surface has been investigated.
application：
4-(Methylthio)benzonitrile was used in the preparation of 4-cyanobenzenethiol.
| Pubchem Sid | 488190520 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190520 |
| Canonical Smiles | CSC1=CC=C(C=C1)C#N |
| IUPAC Name | 4-methylsulfanylbenzonitrile |
| InChIKey | RPVGEEHGKIFQFO-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3 |
| Isomeric SMILES | CSC1=CC=C(C=C1)C#N |
| WGK Germany | 3 |
| UN Number | 3439 |
| Molecular Weight | 149.21 |
| Reaxy-Rn | 2079565 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079565&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Thiophenol ethers Alkylarylthioethers Sulfenyl compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl thioether - Thiophenol ether - Benzonitrile - Alkylarylthioether - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| 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 |
|---|---|---|---|
 A2211390 | Certificate of Analysis | Oct 21, 2025 | M101849 |
| A2211409 | Certificate of Analysis | Oct 21, 2025 | M101849 |
| A2211857 | Certificate of Analysis | Oct 21, 2025 | M101849 |
| D2315835 | Certificate of Analysis | Mar 27, 2023 | M101849 |
| D2315837 | Certificate of Analysis | Mar 27, 2023 | M101849 |
| D2315841 | Certificate of Analysis | Mar 27, 2023 | M101849 |
| D2315878 | Certificate of Analysis | Mar 27, 2023 | M101849 |
| D2315883 | Certificate of Analysis | Mar 27, 2023 | M101849 |
| Solubility | Insoluble in water |
|---|---|
| Boil Point(°C) | 272°C |
| Melt Point(°C) | 59-64 °C |
| Molecular Weight | 149.210 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| 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 | 139.000 |
| 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 |
