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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Methoxythiobenzamide - ≥97% , CAS No.42590-97-6
Synonyms
A825952 | 2-methoxythiobenzamide, AldrichCPR | Z56979367 | FT-0691742 | MFCD04973324 | 2-Methoxybenzenecarbothioamide # | 2-METHOXYBENZENE-1-CARBOTHIOAMIDE | AKOS001132942 | AB21279 | DTXSID60374890 | HMS2531N16 | 2-Methoxythiobenzamide | 2-methoxy-thiobe
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Why this grade ≥97% 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 Synonyms
A825952 | 2-methoxythiobenzamide, AldrichCPR | Z56979367 | FT-0691742 | MFCD04973324 | 2-Methoxybenzenecarbothioamide # | 2-METHOXYBENZENE-1-CARBOTHIOAMIDE | AKOS001132942 | AB21279 | DTXSID60374890 | HMS2531N16 | 2-Methoxythiobenzamide | 2-methoxy-thiobe
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles COC1=CC=CC=C1C(=S)N IUPAC Name 2-methoxybenzenecarbothioamide InChIKey YNEHBLLUZJTDOL-UHFFFAOYSA-N INCHI 1S/C8H9NOS/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5H,1H3,(H2,9,11) Isomeric SMILES COC1=CC=CC=C1C(=S)N Molecular Weight 167.23 Reaxy-Rn 2575024 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2575024&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 Phenol ethers Subclass Anisoles Intermediate Tree Nodes Not available Direct Parent Anisoles Alternative Parents Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Thioamide - Ether - Thiocarboxylic acid amide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Thiocarbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. 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(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 167.230 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 167.04 Da Monoisotopic Mass 167.04 Da Topological Polar Surface Area 67.300 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 149.000 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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