for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
4-(Phenylthio)benzyl Alcohol is an impurity of Fenticonazole nitrate, a new potent antimycotic compound.
| Canonical Smiles | C1=CC=C(C=C1)SC2=CC=C(C=C2)CO |
|---|---|
| IUPAC Name | (4-phenylsulfanylphenyl)methanol |
| InChIKey | PGOAWMRWDZJQTB-UHFFFAOYSA-N |
| INCHI | 1S/C13H12OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2 |
| Isomeric SMILES | C1=CC=C(C=C1)SC2=CC=C(C=C2)CO |
| PubChem CID | 80593 |
| Molecular Weight | 216.3 |
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 Benzyl alcohols Sulfenyl compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diarylthioether - Thiophenol ether - Benzyl alcohol - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - 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 |
| Solubility | Soluble in methanol, and DMSO. |
|---|---|
| Refractive Index | n20D1.66 (Predicted) |
| Boil Point(°C) | ~390.2° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 46-48° C |
| Molecular Weight | 216.300 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 216.061 Da |
| Monoisotopic Mass | 216.061 Da |
| Topological Polar Surface Area | 45.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 169.000 |
| 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 |
