≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Administration of 4-(methylthio)benzoic acid reduces cisplatin nephrotoxicity in rats. It prevents in vitro DNA binding and mutation induction in Escherichia coli K12。
| Pubchem Sid | 488186165 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186165 |
| Canonical Smiles | CSC1=CC=C(C=C1)C(=O)O |
| IUPAC Name | 4-methylsulfanylbenzoic acid |
| InChIKey | KWHCPERWLHBLOT-UHFFFAOYSA-N |
| INCHI | 1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| Isomeric SMILES | CSC1=CC=C(C=C1)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 168.21 |
| Beilstein | 2082810 |
| Reaxy-Rn | 2082809 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082809&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 | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Sulfanylbenzoic acids and derivatives - P-sulfanylbenzoic acids and derivatives |
| Direct Parent | P-sulfanylbenzoic acids |
| Alternative Parents | Benzoic acids Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively. |
| 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 |
|---|---|---|---|
 A2613138 | Certificate of Analysis | May 27, 2024 | M158295 |
| F2427482 | Certificate of Analysis | May 27, 2024 | M158295 |
| F2427483 | Certificate of Analysis | May 27, 2024 | M158295 |
| F2427488 | Certificate of Analysis | May 27, 2024 | M158295 |
| F2303515 | Certificate of Analysis | May 18, 2023 | M158295 |
| F2303517 | Certificate of Analysis | May 18, 2023 | M158295 |
| F2303561 | Certificate of Analysis | May 18, 2023 | M158295 |
| F2303578 | Certificate of Analysis | May 18, 2023 | M158295 |
| F2303580 | Certificate of Analysis | May 18, 2023 | M158295 |
| F2303603 | Certificate of Analysis | May 18, 2023 | M158295 |
| F2303754 | Certificate of Analysis | May 18, 2023 | M158295 |
| D1926060 | Certificate of Analysis | Feb 03, 2023 | M158295 |
| L2213353 | Certificate of Analysis | Dec 01, 2022 | M158295 |
| L2213379 | Certificate of Analysis | Dec 01, 2022 | M158295 |
| L2213380 | Certificate of Analysis | Dec 01, 2022 | M158295 |
| L2213384 | Certificate of Analysis | Dec 01, 2022 | M158295 |
| Melt Point(°C) | 192-196°C |
|---|---|
| Molecular Weight | 168.210 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 168.025 Da |
| Monoisotopic Mass | 168.025 Da |
| Topological Polar Surface Area | 62.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 139.000 |
| 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 |
| 1. Jingfeng Li, Zhaoyi An, Junyang Sun, Chunyan Tan, Dan Gao, Ying Tan, Yuyang Jiang. (2020) Highly Selective Oxidation of Organic Sulfides by a Conjugated Polymer as the Photosensitizer for Singlet Oxygen Generation. ACS Applied Materials & Interfaces, [PMID:32658457] [10.1021/acsami.0c10162] |
