≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 | CC(C)C1=CC(=C(C(=C1)C(C)C)S)C(C)C |
|---|---|
| IUPAC Name | 2,4,6-tri(propan-2-yl)benzenethiol |
| InChIKey | QLPCAAJSEQIZOP-UHFFFAOYSA-N |
| INCHI | 1S/C15H24S/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11,16H,1-6H3 |
| Isomeric SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)S)C(C)C |
| PubChem CID | 613579 |
| Molecular Weight | 236.42 |
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 | Cumenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cumenes |
| Alternative Parents | Phenylpropanes Thiophenols Thiols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Cumene - Thiophenol - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. |
| 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 |
|---|---|---|---|
 E2516068 | Certificate of Analysis | Aug 22, 2023 | T588255 |
| G2521460 | Certificate of Analysis | Aug 22, 2023 | T588255 |
| J2312564 | Certificate of Analysis | Aug 22, 2023 | T588255 |
| J2312565 | Certificate of Analysis | Aug 22, 2023 | T588255 |
| J2312566 | Certificate of Analysis | Aug 22, 2023 | T588255 |
| Molecular Weight | 236.400 g/mol |
|---|---|
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 236.16 Da |
| Monoisotopic Mass | 236.16 Da |
| Topological Polar Surface Area | 1.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 189.000 |
| 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 |
