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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque 2-(Methylthio)benzoic acid - ≥98% , CAS No.3724-10-5
Disponível para encomenda
Synonyms
2-(Methylsulfanyl)benzoic acid # | AB01328835-02 | o-(Methylthio)benzoic acid | SY048265 | BBL100116 | FD7329 | carboxythioanisole | NSC 221934 | HMS1410E07 | BENZOIC ACID, o-(METHYLTHIO)- | 2-methylthiobezoic acid | 2-(Methylthio)benzoic acid | NCGC00337
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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.
Specifications Sinónimos
2-(Methylsulfanyl)benzoic acid # | AB01328835-02 | o-(Methylthio)benzoic acid | SY048265 | BBL100116 | FD7329 | carboxythioanisole | NSC 221934 | HMS1410E07 | BENZOIC ACID, o-(METHYLTHIO)- | 2-methylthiobezoic acid | 2-(Methylthio)benzoic acid | NCGC00337
Especificações e pureza
≥98%
Condições de armazenamento de armazenamento
Room temperature
Nomes e identificadores Sorrisos canónicos
CSC1=CC=CC=C1C(=O)O
IUPAC Name
2-methylsulfanylbenzoic acid
InChIKey
LWJQGKJCZOGGPJ-UHFFFAOYSA-N
INCHI
1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
SMILES isoméricas
CSC1=CC=CC=C1C(=O)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972385&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 Classe Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Sulfanylbenzoic acids and derivatives - O-sulfanylbenzoic acids and derivatives Direct Parent O-sulfanylbenzoic acids Alternative Parents Benzoic acids Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents O-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic homomonocyclic compound Descrição This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, 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.
Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Solubilidade Soluble in Methanol Ponto de fusão (°C) 169-173°C Peso molecular 168.210 g/mol XLogP3 2.000 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 62.600 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
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