≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
| Canonical Smiles | CSCC1=CC=CC=C1 |
|---|---|
| IUPAC Name | methylsulfanylmethylbenzene |
| InChIKey | OFQPKKGMNWASPN-UHFFFAOYSA-N |
| INCHI | 1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| Isomeric SMILES | CSCC1=CC=CC=C1 |
| Molecular Weight | 138.23 |
| Beilstein | 6453 |
| Reaxy-Rn | 1856317 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1856317&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 | Sulfenyl compounds Dialkylthioethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2511230 | Certificate of Analysis | Jul 24, 2025 | B152510 |
| H2511231 | Certificate of Analysis | Jul 24, 2025 | B152510 |
| H2511389 | Certificate of Analysis | Jul 24, 2025 | B152510 |
| I1711049 | Certificate of Analysis | Apr 02, 2025 | B152510 |
| A2607186 | Certificate of Analysis | Jul 05, 2024 | B152510 |
| A2607188 | Certificate of Analysis | Jul 05, 2024 | B152510 |
| Solubility | Insoluble in water |
|---|---|
| Refractive Index | 1.562 |
| Flash Point(°F) | 73°C |
| Flash Point(°C) | 73°C |
| Boil Point(°C) | 195-198°C |
| Molecular Weight | 138.230 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 138.05 Da |
| Monoisotopic Mass | 138.05 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 65.000 |
| 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. Qianqian Wang, Hao Cui, Xiaolin Wang, Ziyu Hu, Peipei Tao, Mingyang Li, Jianlong Wang, Yaping Tang, Hong Xu, Xiangming He. (2023) Exceptional Light Sensitivity by Thiol–Ene Click Lithography. Journal of the American Chemical Society, [PMID:36625511] [10.1021/jacs.2c11887] |
