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· · COA & SDS available for every product · Same-day shipping on in-stock items Simetryne - analytical standard, ≥97% , CAS No.1014-70-6
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥97% Synonyms
2,4-Bis(ethylamino)-6-(methylmercapto)-s-triazine | n2,n4-diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine | 4,6-Bis(ethylamino)-2-methylthio-1,3,5-triazine | BS-42475 | G 32911 | 4,3,5-triazine | N,N'-diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamin
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Why this grade analytical standard, ≥97% Analytical standard 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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
2,4-Bis(ethylamino)-6-(methylmercapto)-s-triazine | n2,n4-diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine | 4,6-Bis(ethylamino)-2-methylthio-1,3,5-triazine | BS-42475 | G 32911 | 4,3,5-triazine | N,N'-diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamin
Specifications & Purity
analytical standard, ≥97%
Names and Identifiers Canonical Smiles
CCNC1=NC(=NC(=N1)SC)NCC
IUPAC Name
2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
InChIKey
MGLWZSOBALDPEK-UHFFFAOYSA-N
INCHI
1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
Isomeric SMILES
CCNC1=NC(=NC(=N1)SC)NCC
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11728&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 Organoheterocyclic compounds Class Triazines Subclass 1,3,5-triazines Intermediate Tree Nodes Not available Direct Parent Methylthio-s-triazines Alternative Parents Alkyl-2-thio-S-triazines Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Methylthio-s-triazine - Alkyl-2-thio-s-triazine - Aryl thioether - Alkylarylthioether - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as methylthio-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a methylthio group. External Descriptors Triazine herbicides 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 x_melt_point_char 82-83°C Molecular Weight 213.310 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 5 Exact Mass 213.105 Da Monoisotopic Mass 213.105 Da Topological Polar Surface Area 88.000 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 143.000 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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