≥96% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488190703 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190703 |
| Canonical Smiles | CSC1=CC(=C(C=C1)Cl)C(=O)O |
| IUPAC Name | 2-chloro-5-methylsulfanylbenzoic acid |
| InChIKey | HJDZJDJRUVAYTR-UHFFFAOYSA-N |
| INCHI | 1S/C8H7ClO2S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11) |
| Isomeric SMILES | CSC1=CC(=C(C=C1)Cl)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 202.66 |
| Reaxy-Rn | 7806026 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7806026&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 | 2-halobenzoic acids Halobenzoic acids Benzoic acids Thiophenol ethers 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous halides Sulfenyl compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-sulfanylbenzoic acid - 2-halobenzoic acid or derivatives - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Vinylogous halide - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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 |
|---|---|---|---|
 H2124207 | Certificate of Analysis | Jun 09, 2025 | C170714 |
| H2124208 | Certificate of Analysis | Jun 09, 2025 | C170714 |
| H2124213 | Certificate of Analysis | Jun 09, 2025 | C170714 |
| H2124214 | Certificate of Analysis | Jun 09, 2025 | C170714 |
| H2124215 | Certificate of Analysis | Jun 09, 2025 | C170714 |
| H2124202 | Certificate of Analysis | Jun 09, 2025 | C170714 |
| H2124203 | Certificate of Analysis | Jun 09, 2025 | C170714 |
| H2124204 | Certificate of Analysis | Jun 09, 2025 | C170714 |
| F2312306 | Certificate of Analysis | Aug 31, 2021 | C170714 |
| Melt Point(°C) | 136-137 °C |
|---|---|
| Molecular Weight | 202.660 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 201.986 Da |
| Monoisotopic Mass | 201.986 Da |
| Topological Polar Surface Area | 62.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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 |
