≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488186936 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186936 |
| Canonical Smiles | C1=CC(=CC(=C1)S)C(=O)O |
| IUPAC Name | 3-sulfanylbenzoic acid |
| InChIKey | RSFDFESMVAIVKO-UHFFFAOYSA-N |
| INCHI | 1S/C7H6O2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H,8,9) |
| Isomeric SMILES | C1=CC(=CC(=C1)S)C(=O)O |
| WGK Germany | 3 |
| UN Number | 3335 |
| Molecular Weight | 154.19 |
| Reaxy-Rn | 2573678 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2573678&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 - M-sulfanylbenzoic acids and derivatives |
| Direct Parent | M-sulfanylbenzoic acids |
| Alternative Parents | Benzoic acids Thiophenols Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Thiols Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-sulfanylbenzoic acid - Benzoic acid - Thiophenol - Benzoyl - Arylthiol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, 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 |
|---|---|---|---|
 C1812074 | Certificate of Analysis | Oct 14, 2025 | M101798 |
| C1812075 | Certificate of Analysis | Oct 13, 2025 | M101798 |
| A2607085 | Certificate of Analysis | Jul 30, 2022 | M101798 |
| K2228326 | Certificate of Analysis | Jul 30, 2022 | M101798 |
| K2228327 | Certificate of Analysis | Jul 30, 2022 | M101798 |
| D2318133 | Certificate of Analysis | Jan 20, 2022 | M101798 |
| Solubility | Soluble in Alcohol,Ether |
|---|---|
| Sensitivity | Air Sensitive |
| Melt Point(°C) | 144-147°C |
| Molecular Weight | 154.190 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 154.009 Da |
| Monoisotopic Mass | 154.009 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 136.000 |
| 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. Yao Feng, Jingxue Yuan, Jianhua Kuang, Qingqing Hu, Zhengjun Cheng. (2023) 4-Mercaptobenzoic acid coated self-assembled aggregative luminescent copper nanoclusters for the detection of ethyl vanillin. OPTICAL MATERIALS, [PMID:] [10.1016/j.optmat.2023.114580] |
| 2. Cong-Cong Luan, Yu-Ping Zhang, Cheng-Xing Cui, De-Liang Chen, Yuan Chen, Meng-Jun Chen. (2022) Controllable Water Penetration through a Smart Brass Mesh Modified by Mercaptobenzoic Acid and Naphthalenethiol. Coatings, 12 (11): (1729). [PMID:] [10.3390/coatings12111729] |
| 3. Jianhang Li, Guanbin Gao, Xintong Tang, Meng Yu, Meng He, Taolei Sun. (2021) Isomeric Effect of Nano-Inhibitors on Aβ40 Fibrillation at The Nano-Bio Interface. ACS Applied Materials & Interfaces, [PMID:33486955] [10.1021/acsami.0c21906] |
| 4. Yusai Zhou, Gui Zhao, Jingming Bian, Xiaoli Tian, Xuejun Cheng, Hong Wang, Hongyu Chen. (2020) Multiplexed SERS Barcodes for Anti-Counterfeiting. ACS Applied Materials & Interfaces, [PMID:32483972] [10.1021/acsami.0c06272] |
| 5. Xinglong Wang, Xuesong Wu, Jiating He, Xiaolin Tao, Hongyan Li, Gui Zhao, Yawen Wang, Hongyu Chen. (2018) Synthesis of Substrate-Bound Au Nanowires Via an Active Surface Growth Mechanism. Jove-Journal of Visualized Experiments, [PMID:30080206] [10.3791/57808] |
