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· · COA & SDS available for every product · Same-day shipping on in-stock items Carboxine - analytical standard,Moligand™ , CAS No.5234-68-4
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
NCGC00254614-01 | 5-19-07-00251 (Beilstein Handbook Reference) | FT-0602928 | Karboxyn | Vitavax 100 | Vitavax 735D | 1, 5,6-dihydro-2-methyl- | SCHEMBL18392 | Carboxin [ISO] | CARBOXIN [MI] | CHEBI:3405 | 1, 2,3-dihydro-5-carboxanilido-6-methyl- | FS-301
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Why this grade analytical standard,Moligand™ Analytical standard,Moligand™ 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
NCGC00254614-01 | 5-19-07-00251 (Beilstein Handbook Reference) | FT-0602928 | Karboxyn | Vitavax 100 | Vitavax 735D | 1, 5, 6-dihydro-2-methyl- | SCHEMBL18392 | Carboxin [ISO] | CARBOXIN [MI] | CHEBI:3405 | 1, 2, 3-dihydro-5-carboxanilido-6-methyl- | FS-301
Specifications & Purity
analytical standard, Moligand™
Grade
Analytical standard, Moligand™
Names and Identifiers Canonical Smiles CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 IUPAC Name 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide InChIKey GYSSRZJIHXQEHQ-UHFFFAOYSA-N INCHI 1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) Isomeric SMILES CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 Molecular Weight 235.3 Reaxy-Rn 983249 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=983249&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 Anilides Intermediate Tree Nodes Not available Direct Parent Anilides Alternative Parents N-arylamides Oxathiins Vinylogous esters Thioenol ethers Secondary carboxylic acid amides Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Anilide - N-arylamide - 1,4-oxathiin - Vinylogous ester - Carboxamide group - Secondary carboxylic acid amide - Thioenolether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. External Descriptors an amide 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 Flash Point(°C) 100°C Melt Point(°C) 93-95°C Molecular Weight 235.300 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 235.067 Da Monoisotopic Mass 235.067 Da Topological Polar Surface Area 63.600 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 295.000 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
Citations of This Product References 1. Yuhang Liu, Yi Zhang, Pran Gopal Karmaker, Yuting Tang, Lilei Zhang, Feng Huo, Ya Wang, Xiupei Yang. (2022) Dual-Color 2D Lead–Organic Framework with Two-Fold Interlocking Structures for the Detection of Nitrofuran Antibiotics and 2,6-Dichloro-4-nitroaniline. ACS Applied Materials & Interfaces, [PMID:36342338 ] [10.1021/acsami.2c15440 ] 2. Zhang Heng, Zhu Zhangling, Peng Mengqi, Liu Sijie, Gong Xiao, Chen Tian, Hu Qingwen, Li Linyun, Dun-zhu Zha-xi, Drol-ga Lha-zom, Sun Yi. (2025) Agricultural SDHIs Induce Azole Resistance in Aspergillus fumigatus via Mitochondrial Sdh1 Suppression. MYCOPATHOLOGIA, 190 (5): (1-16). [PMID:40952433 ] [10.1007/s11046-025-00992-0 ]
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