≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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.
| Canonical Smiles | CN(C1=CC=CC=C1)SC(F)(F)F |
|---|---|
| IUPAC Name | N-methyl-N-(trifluoromethylsulfanyl)aniline |
| InChIKey | TYFGNILTFVMYGX-UHFFFAOYSA-N |
| INCHI | 1S/C8H8F3NS/c1-12(13-8(9,10)11)7-5-3-2-4-6-7/h2-6H,1H3 |
| Isomeric SMILES | CN(C1=CC=CC=C1)SC(F)(F)F |
| Molecular Weight | 207.21 |
| Reaxy-Rn | 2967654 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2967654&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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Trihalomethanes Sulfenyl compounds Organosulfenic acid amides Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Trihalomethane - Sulfenyl compound - Organosulfenic acid amide - Organic nitrogen compound - Halomethane - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
| Sensitivity | Air Sensitive,Heat Sensitive |
|---|---|
| Refractive Index | 1.49 |
| Flash Point(°C) | 45 °C |
| Molecular Weight | 207.220 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 207.033 Da |
| Monoisotopic Mass | 207.033 Da |
| Topological Polar Surface Area | 28.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 154.000 |
| 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 |
