≥98% 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.
| Pubchem Sid | 488187174 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187174 |
| Canonical Smiles | CSCC#N |
| IUPAC Name | 2-methylsulfanylacetonitrile |
| InChIKey | ZRIGDBVSVFSVLL-UHFFFAOYSA-N |
| INCHI | 1S/C3H5NS/c1-5-3-2-4/h3H2,1H3 |
| Isomeric SMILES | CSCC#N |
| Molecular Weight | 87.14 |
| Reaxy-Rn | 1738015 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738015&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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Organic cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitriles |
| Alternative Parents | Sulfenyl compounds Dialkylthioethers Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dialkylthioether - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. |
| 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 |
|---|---|---|---|
 D23191267 | Certificate of Analysis | Mar 15, 2023 | M158307 |
| D23191268 | Certificate of Analysis | Mar 15, 2023 | M158307 |
| D23191269 | Certificate of Analysis | Mar 15, 2023 | M158307 |
| D23191398 | Certificate of Analysis | Mar 15, 2023 | M158307 |
| D2319453 | Certificate of Analysis | Mar 15, 2023 | M158307 |
| D2319471 | Certificate of Analysis | Mar 15, 2023 | M158307 |
| D2319473 | Certificate of Analysis | Mar 15, 2023 | M158307 |
| D2319476 | Certificate of Analysis | Mar 15, 2023 | M158307 |
| Sensitivity | Heat Sensitive |
|---|---|
| Refractive Index | 1.48 |
| Flash Point(°F) | 68°C(lit.) |
| Flash Point(°C) | 68°C(lit.) |
| Boil Point(°C) | 60°C/13mmHg(lit.) |
| Molecular Weight | 87.150 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 87.0143 Da |
| Monoisotopic Mass | 87.0143 Da |
| Topological Polar Surface Area | 49.100 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 51.200 |
| 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 |
