≥97% 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 | CSC1=CC=CC(=C1)N |
|---|---|
| IUPAC Name | 3-methylsulfanylaniline |
| InChIKey | KCHLDNLIJVSRPK-UHFFFAOYSA-N |
| INCHI | 1S/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3 |
| Isomeric SMILES | CSC1=CC=CC(=C1)N |
| WGK Germany | 3 |
| RTECS | BY6301000 |
| UN Number | 2810 |
| Molecular Weight | 139.22 |
| Beilstein | 2078599 |
| Reaxy-Rn | 2078599 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2078599&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 |
|---|---|---|---|
 H2506057 | Certificate of Analysis | Aug 13, 2025 | M101834 |
| I2103347 | Certificate of Analysis | Jun 09, 2025 | M101834 |
| I2103348 | Certificate of Analysis | Jun 09, 2025 | M101834 |
| I2103349 | Certificate of Analysis | Jun 09, 2025 | M101834 |
| H1527028 | Certificate of Analysis | Apr 14, 2023 | M101834 |
| Sensitivity | air sensitive;light sensitive;heat sensitive |
|---|---|
| Refractive Index | 1.637 |
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | > 110°C |
| Boil Point(°C) | 163-165°C/16mmHg |
| Molecular Weight | 139.220 g/mol |
| XLogP3 | 1.500 |
| 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 | 85.000 |
| 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 |
