≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488182662 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182662 |
| Canonical Smiles | COC(=O)C1=CC=CC=C1S |
| IUPAC Name | methyl 2-sulfanylbenzoate |
| InChIKey | BAQGCWNPCFABAY-UHFFFAOYSA-N |
| INCHI | 1S/C8H8O2S/c1-10-8(9)6-4-2-3-5-7(6)11/h2-5,11H,1H3 |
| Isomeric SMILES | COC(=O)C1=CC=CC=C1S |
| WGK Germany | 3 |
| RTECS | DH3500000 |
| Molecular Weight | 168.21 |
| Beilstein | 10(4)280 |
| Reaxy-Rn | 956859 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956859&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 |
| Direct Parent | O-sulfanylbenzoic acids and derivatives |
| Alternative Parents | Benzoic acid esters Thiophenols Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Thiols Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-sulfanylbenzoic acid or derivatives - Benzoate ester - Thiophenol - Benzoyl - Methyl ester - Carboxylic acid ester - Arylthiol - Monocarboxylic acid or derivatives - 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 o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, 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 |
|---|---|---|---|
 H1813179 | Certificate of Analysis | May 21, 2026 | M101797 |
| L2424085 | Certificate of Analysis | Jun 26, 2024 | M101797 |
| L2431093 | Certificate of Analysis | Jun 26, 2024 | M101797 |
| E2323623 | Certificate of Analysis | Jun 02, 2023 | M101797 |
| E2323636 | Certificate of Analysis | Jun 02, 2023 | M101797 |
| E2323655 | Certificate of Analysis | Jun 02, 2023 | M101797 |
| D2318134 | Certificate of Analysis | Jun 24, 2022 | M101797 |
| Sensitivity | Air sensitive. |
|---|---|
| Refractive Index | 1.591 |
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | > 110 |
| Boil Point(°C) | 98-100°C/2mmHg |
| Molecular Weight | 168.210 g/mol |
| XLogP3 | 1.900 |
| 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 | 27.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| 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 |
