≥97%, mixture of isomers 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504761546 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761546 |
| Canonical Smiles | CCC1=CC=C(C=C1)S |
| IUPAC Name | 4-ethylbenzenethiol |
| InChIKey | WWQQPHUHTAZWDH-UHFFFAOYSA-N |
| INCHI | 1S/C8H10S/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3 |
| Isomeric SMILES | CCC1=CC=C(C=C1)S |
| Molecular Weight | 138.23 |
| Beilstein | 6(4)3027 |
| Reaxy-Rn | 1905734 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905734&ln= |
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 |
|---|---|---|---|
 H2515024 | Certificate of Analysis | Aug 26, 2025 | E156190 |
| J2218769 | Certificate of Analysis | Aug 19, 2025 | E156190 |
| J2218787 | Certificate of Analysis | Aug 19, 2025 | E156190 |
| J2218814 | Certificate of Analysis | Aug 19, 2025 | E156190 |
| J2218965 | Certificate of Analysis | Aug 19, 2025 | E156190 |
| K2102364 | Certificate of Analysis | Aug 13, 2024 | E156190 |
| K2102365 | Certificate of Analysis | Aug 13, 2024 | E156190 |
| K2102366 | Certificate of Analysis | Aug 13, 2024 | E156190 |
| K2102451 | Certificate of Analysis | Aug 13, 2024 | E156190 |
| J1930057 | Certificate of Analysis | Sep 12, 2022 | E156190 |
| E2515012 | Certificate of Analysis | Jul 20, 2022 | E156190 |
| Boil Point(°C) | 119-120°/30mm |
|---|---|
| Molecular Weight | 138.230 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| 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 | 72.600 |
| 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 |
| 1. Aodi Zhang, Yusai Zhou, Feng Xue, Xudong Peng, Hongyu Chen, Hong Wang. (2022) Exploring the generality of ligands for Silica-Encapsulated nanoclusters as SERS labels. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:36577354] [10.1016/j.jcis.2022.12.099] |
| 2. Ming-Hui Sun, Ming-Yu Qi, Zi-Rong Tang, Yi-Jun Xu. (2022) Dual cocatalysts decorated CdS nanoparticles for efficient dehydrocoupling of thiols into disulfides. APPLIED CATALYSIS B-ENVIRONMENTAL, [PMID:] [10.1016/j.apcatb.2022.122019] |
| 3. 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] |
