≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
2-Phenylethanethiol serves as a building block in organic synthesis to incorporate a thiol functional group into molecules.Structures of 2-phenylethanethiol and its 1:1 water clusters have been studied using resonant two-photon ionization spectroscopy.
2-Phenylethanethiol has been used:
in preparation of biicosahedral Au (25) clusters protected with various types of thiol ligands
as derivatization reagent for phosphorylated sequences of peptides, for enhancing ionization efficiency in matrix-assisted laser desorption/ionization mass spectrometry.
| Pubchem Sid | 504755254 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755254 |
| Sonrisas canónicas | C1=CC=C(C=C1)CCS |
| IUPAC Name | 2-phenylethanethiol |
| InChIKey | ZMRFRBHYXOQLDK-UHFFFAOYSA-N |
| INCHI | 1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| Isómeros SMILES | C1=CC=C(C=C1)CCS |
| WGK Alemania | 3 |
| PubChem CID | 78126 |
| Peso molecular | 138.23 |
| Reaxy-Rn | 1446618 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Alkylthiols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 H2526689 | Certificate of Analysis | Jun 11, 2025 | P160530 |
| H2526690 | Certificate of Analysis | Jun 11, 2025 | P160530 |
| H2528721 | Certificate of Analysis | Jun 11, 2025 | P160530 |
| H2528723 | Certificate of Analysis | Jun 11, 2025 | P160530 |
| G2116254 | Certificate of Analysis | Apr 08, 2025 | P160530 |
| E2417495 | Certificate of Analysis | Mar 16, 2024 | P160530 |
| A2508224 | Certificate of Analysis | Dec 13, 2021 | P160530 |
| B2210101 | Certificate of Analysis | Dec 13, 2021 | P160530 |
| B2210103 | Certificate of Analysis | Dec 13, 2021 | P160530 |
| B2210130 | Certificate of Analysis | Dec 13, 2021 | P160530 |
| E2422110 | Certificate of Analysis | Dec 13, 2021 | P160530 |
| G2411022 | Certificate of Analysis | Dec 13, 2021 | P160530 |
| L2419420 | Certificate of Analysis | Dec 13, 2021 | P160530 |
| Sensibilidad | Air sensitive |
|---|---|
| Índice de refracción | 1.56 |
| Punto de inflamación (°F) | 194 °F |
| Punto de inflamación (°C) | 90 °C |
| Punto de ebullición (°C) | 218°C |
| Peso molecular | 138.230 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 138.05 Da |
| Monoisotopic Mass | 138.05 Da |
| Topological Polar Surface Area | 1.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 65.000 |
| 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 |
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| 3. Jinling Yang, Xiang Li, Jianrong Zhang, Yang Zhou, Yuanyuan Wang. (2022) Direct Formation of Colloidal All-Inorganic Metal Nanocrystals from Magic-Size Clusters. ACS Applied Materials & Interfaces, [PMID:35080849] [10.1021/acsami.1c20953] |
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| 5. Liu Xu, Xu Wen Wu, Huang Xinyu, Wang Endong, Cai Xiao, Zhao Yue, Li Jin, Xiao Min, Zhang Chunfeng, Gao Yi, Ding Weiping, Zhu Yan. (2020) De novo design of Au36(SR)24 nanoclusters. Nature Communications, 11 (1): (1-7). [PMID:32620825] [10.1038/s41467-020-17132-5] |
| 6. Yali Liu, Pengfei Zhang, Junmin Liu, Tao Wang, Qisheng Huo, Li Yang, Lei Sun, Zhen-An Qiao, Sheng Dai. (2018) Gold Cluster–CeO2 Nanostructured Hybrid Architectures as Catalysts for Selective Oxidation of Inert Hydrocarbons. CHEMISTRY OF MATERIALS, [PMID:] [10.1021/acs.chemmater.8b03624] |
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| 8. Dan Yang, Xiang Cui, Zhou Xu, Qian Yan, Yating Wu, Chunmei Zhou, Yihu Dai, Xiaoyue Wan, Yuguang Jin, Leonid M. Kustov, Yanhui Yang. (2025) Efficient electrocatalytic oxidation of glycerol toward formic acid over well-defined nickel nanoclusters capped by ligands. CHINESE JOURNAL OF CATALYSIS, [PMID:] [10.1016/S1872-2067(25)64779-6] |
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