≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC1CCC(C(C1)OC(=O)CSC2=CC=CC=C2C(=O)O)C(C)C |
|---|---|
| IUPAC Name | 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]sulfanylbenzoic acid |
| InChIKey | GZPWQYNLYYAAGZ-UHFFFAOYSA-N |
| INCHI | 1S/C19H26O4S/c1-12(2)14-9-8-13(3)10-16(14)23-18(20)11-24-17-7-5-4-6-15(17)19(21)22/h4-7,12-14,16H,8-11H2,1-3H3,(H,21,22) |
| Isomeric SMILES | CC1CCC(C(C1)OC(=O)CSC2=CC=CC=C2C(=O)O)C(C)C |
| PubChem CID | 3853649 |
| Molecular Weight | 350.47 |
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 | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic monoterpenoids |
| Alternative Parents | O-sulfanylbenzoic acids Monocyclic monoterpenoids Menthane monoterpenoids Benzoic acids Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Dicarboxylic acids and derivatives Carboxylic acid esters Sulfenyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aromatic monoterpenoid - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Monocyclic monoterpenoid - P-menthane monoterpenoid - Benzoic acid - Benzoic acid or derivatives - Aryl thioether - Thiophenol ether - Benzoyl - Alkylarylthioether - Benzenoid - Vinylogous thioester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid ester - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
| External Descriptors | Not available |
| Molecular Weight | 350.500 g/mol |
|---|---|
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 350.155 Da |
| Monoisotopic Mass | 350.155 Da |
| Topological Polar Surface Area | 88.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 437.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
