≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC=C(C=C1)SC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 1-methyl-4-phenylsulfanylbenzene |
| InChIKey | CPZFPNKPHBCUOB-UHFFFAOYSA-N |
| INCHI | 1S/C13H12S/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10H,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)SC2=CC=CC=C2 |
| PubChem CID | 138011 |
| Molecular Weight | 200.3 |
| Beilstein | 6(4)2169 |
| Reaxy-Rn | 2045716 |
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 | Diarylthioethers |
| Alternative Parents | Thiophenol ethers Toluenes Sulfenyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diarylthioether - Thiophenol ether - Toluene - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| 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 |
|---|---|---|---|
 C2616112 | Certificate of Analysis | Mar 23, 2026 | P160297 |
| G2508130 | Certificate of Analysis | Oct 20, 2022 | P160297 |
| L22071136 | Certificate of Analysis | Oct 20, 2022 | P160297 |
| L22071221 | Certificate of Analysis | Oct 20, 2022 | P160297 |
| L22071224 | Certificate of Analysis | Oct 20, 2022 | P160297 |
| L22071225 | Certificate of Analysis | Oct 20, 2022 | P160297 |
| Refractive Index | 1.62 |
|---|---|
| Boil Point(°C) | 312°C(lit.) |
| Melt Point(°C) | 16 °C |
| Molecular Weight | 200.300 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 200.066 Da |
| Monoisotopic Mass | 200.066 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 153.000 |
| 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 |
