≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488183710 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183710 |
| Canonical Smiles | CSC1=CC=C(C=C1)N |
| IUPAC Name | 4-methylsulfanylaniline |
| InChIKey | YKFROQCFVXOUPW-UHFFFAOYSA-N |
| INCHI | 1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3 |
| Isomeric SMILES | CSC1=CC=C(C=C1)N |
| WGK Germany | 3 |
| RTECS | BY6302000 |
| Molecular Weight | 139.22 |
| Beilstein | 774506 |
| Reaxy-Rn | 774506 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774506&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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Thiophenol ethers Aniline and substituted anilines Alkylarylthioethers Sulfenyl compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl thioether - Aniline or substituted anilines - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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 |
|---|---|---|---|
 B2429359 | Certificate of Analysis | Mar 07, 2024 | M101835 |
| B2429360 | Certificate of Analysis | Mar 07, 2024 | M101835 |
| B2429361 | Certificate of Analysis | Mar 07, 2024 | M101835 |
| B2429362 | Certificate of Analysis | Mar 07, 2024 | M101835 |
| B2429363 | Certificate of Analysis | Mar 07, 2024 | M101835 |
| B2429364 | Certificate of Analysis | Mar 07, 2024 | M101835 |
| B2429365 | Certificate of Analysis | Mar 07, 2024 | M101835 |
| C2307851 | Certificate of Analysis | Feb 20, 2023 | M101835 |
| C2307912 | Certificate of Analysis | Feb 20, 2023 | M101835 |
| C2307913 | Certificate of Analysis | Feb 20, 2023 | M101835 |
| C2307914 | Certificate of Analysis | Feb 20, 2023 | M101835 |
| C2307915 | Certificate of Analysis | Feb 20, 2023 | M101835 |
| C2307917 | Certificate of Analysis | Feb 20, 2023 | M101835 |
| C2307930 | Certificate of Analysis | Feb 20, 2023 | M101835 |
| Sensitivity | air&light sensitive |
|---|---|
| Refractive Index | 1.639 |
| Flash Point(°F) | 230 °F |
| Flash Point(°C) | > 110 |
| Boil Point(°C) | 272-273°C |
| Molecular Weight | 139.220 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 139.046 Da |
| Monoisotopic Mass | 139.046 Da |
| Topological Polar Surface Area | 51.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 77.000 |
| 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 |
| 1. Pan Liang, Huang Yingzhou, Yang Yanna, Xiong Wen, Chen Guo, Su Xun, Wei Hua, Wang Shuxia, Wen Weijia. (2015) Electromagnetic field redistribution induced selective plasmon driven surface catalysis in metal nanowire-film systems. Scientific Reports, 5 (1): (1-8). [PMID:26601698] [10.1038/srep17223] |
