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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 4-mercaptobenzoate - ≥95% , CAS No.6302-65-4
Synonyms
DTXSID80285272 | WL1 | MFCD01863423 | FT-0647873 | p-(Carbomethoxy)benzenethiol | AKOS015995176 | NSC41242 | NSC-41242 | SCHEMBL197525 | Benzoic acid, 4-mercapto-, methyl ester | Methyl4-mercaptobenzoate | BTZOMWXSWVOOHG-UHFFFAOYSA-N | Z56755743 | METHYL
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Methyl 4-Mercaptobenzoate is a useful synthetic intermediate.
Specifications Synonyms
DTXSID80285272 | WL1 | MFCD01863423 | FT-0647873 | p-(Carbomethoxy)benzenethiol | AKOS015995176 | NSC41242 | NSC-41242 | SCHEMBL197525 | Benzoic acid, 4-mercapto-, methyl ester | Methyl4-mercaptobenzoate | BTZOMWXSWVOOHG-UHFFFAOYSA-N | Z56755743 | METHYL
Specifications & Purity
≥95%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles COC(=O)C1=CC=C(C=C1)S IUPAC Name methyl 4-sulfanylbenzoate InChIKey BTZOMWXSWVOOHG-UHFFFAOYSA-N INCHI 1S/C8H8O2S/c1-10-8(9)6-2-4-7(11)5-3-6/h2-5,11H,1H3 Isomeric SMILES COC(=O)C1=CC=C(C=C1)S Molecular Weight 168.22 Reaxy-Rn 2086264 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086264&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Sulfanylbenzoic acids and derivatives Direct Parent P-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 P-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 p-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 4, respectively. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in Acetate, Acetone, Chloroform, Dichloromethane, DMSO, Ethanol, Ethyl DMF and Methanol Sensitivity Air sensitive Melt Point(°C) 33-36°C Molecular Weight 168.210 g/mol XLogP3 2.400 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 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
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