≥98% 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488189356 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189356 |
| Canonical Smiles | C1(=C(C(=C(C(=C1F)F)S)F)F)C(=O)O |
| IUPAC Name | 2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid |
| InChIKey | USFMEWZQIHKRDP-UHFFFAOYSA-N |
| INCHI | 1S/C7H2F4O2S/c8-2-1(7(12)13)3(9)5(11)6(14)4(2)10/h14H,(H,12,13) |
| Isomeric SMILES | C1(=C(C(=C(C(=C1F)F)S)F)F)C(=O)O |
| PubChem CID | 297543 |
| Molecular Weight | 226.14 |
| Reaxy-Rn | 2585787 |
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 | 2-halobenzoic acids 3-halobenzoic acids Halobenzoic acids Benzoic acids Thiophenols 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Thiols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-sulfanylbenzoic acid - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - 1-carboxy-2-haloaromatic compound - Thiophenol - Benzoyl - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Vinylogous halide - Arylthiol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - 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 |
|---|---|---|---|
 F23281002 | Certificate of Analysis | Jul 06, 2023 | T162524 |
| F2328691 | Certificate of Analysis | Jul 06, 2023 | T162524 |
| F2328692 | Certificate of Analysis | Jul 06, 2023 | T162524 |
| F2328693 | Certificate of Analysis | Jul 06, 2023 | T162524 |
| F2328697 | Certificate of Analysis | Jul 06, 2023 | T162524 |
| F2328700 | Certificate of Analysis | Jul 06, 2023 | T162524 |
| J2529172 | Certificate of Analysis | Jul 06, 2023 | T162524 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Air Sensitive |
| Melt Point(°C) | 153 °C |
| Molecular Weight | 226.150 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 225.971 Da |
| Monoisotopic Mass | 225.971 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 224.000 |
| 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. Qingling Nie, Peipei Xu, Jiajia Liu, Yanhanzhuo Wang, Qian Huang, Ruiyun You, Yunzhen Liu, Lizhi Li, Yudong Lu. (2024) Enhanced SERS detection of the colorectal cancer biomarker utilizing a two-dimensional silver substrate. COLLOIDS AND SURFACES B-BIOINTERFACES, [PMID:39413486] [10.1016/j.colsurfb.2024.114317] |
| 2. Ailing Su, Yuan Liu, Weihan Sun, Chongyang Liang, Weiqing Xu, Alison Rodger, James Piper, Yuling Wang, Shuping Xu. (2024) Silver Nanoparticles with Dual-Recognition via CRISPR/dCas9 for SERS Identification of Two KRAS Mutations in Nucleic Acid Targets. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.4c01925] |
| 3. Hairong Chen, Hengchang Zhang, Lingfeng Duan, Kaidi Sun, Rui Li, Yunxia Wang, Jiacheng Yao, Changchun Yan, Ying Liu, Ying Wu, Guohai Yang, Caiqin Han. (2025) Ultrasensitive SERS detection of cytokines through specific binding and multiple reporter molecules. ANALYTICA CHIMICA ACTA, [PMID:40701723] [10.1016/j.aca.2025.344355] |
