≥98% 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 | CC1=CC(=C(C(=C1)C)S)C |
|---|---|
| IUPAC Name | 2,4,6-trimethylbenzenethiol |
| InChIKey | PKANQZUPJCMBAK-UHFFFAOYSA-N |
| INCHI | 1S/C9H12S/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3 |
| Isomeric SMILES | CC1=CC(=C(C(=C1)C)S)C |
| PubChem CID | 284449 |
| Molecular Weight | 152.26 |
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 | Thiophenols |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophenols |
| Alternative Parents | Benzene and substituted derivatives Thiols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Thiophenol - Monocyclic benzene moiety - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom. |
| 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 |
|---|---|---|---|
 J2415712 | Certificate of Analysis | Sep 30, 2024 | T697129 |
| J2415715 | Certificate of Analysis | Sep 30, 2024 | T697129 |
| J2415716 | Certificate of Analysis | Sep 30, 2024 | T697129 |
| J2415717 | Certificate of Analysis | Sep 30, 2024 | T697129 |
| J2415719 | Certificate of Analysis | Sep 30, 2024 | T697129 |
| J2415721 | Certificate of Analysis | Sep 30, 2024 | T697129 |
| Molecular Weight | 152.260 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.066 Da |
| Monoisotopic Mass | 152.066 Da |
| Topological Polar Surface Area | 1.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 99.300 |
| 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 |
