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analytical standard, ≥97% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| 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 |
| WGK Germany | 3 |
| Molecular Weight | 213.3 |
| Beilstein | 11728 |
| Reaxy-Rn | 11728 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11728&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 |
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| Melt Point(°C) | 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 |
| 1. Chun Wang, Qianqian Wang, Jintao Yu, Xinmeng Wang, Lijuan Wang, Bin Zhao, Lin Hao, Weihua Liu, Zhi Wang, Hao Chen, Qiuhua Wu. (2023) Converting waste expanded polystyrene into higher-value-added hyper-crosslinked porous polymer for rapid and high-efficient adsorption of aflatoxins. Journal of Cleaner Production, [PMID:] [10.1016/j.jclepro.2023.137102] |
| 2. Qianqian Wang, Ranxiao Tang, Mingming Xu, Junmin Wang, Shuofeng Li, Weihua Liu, Lin Hao, Shuaihua Zhang, Junhong Zhou, Chun Wang, Qiuhua Wu, Zhi Wang. (2022) Sustainable synthesis of hydroxyl-functional porous organic framework as novel adsorbent for effective removal of organic micropollutants from water. JOURNAL OF ENVIRONMENTAL MANAGEMENT, [PMID:35985270] [10.1016/j.jenvman.2022.115952] |
| 3. Qiuhua Wu, Yuhong Song, Qianqian Wang, Weihua Liu, Lin Hao, Zhi Wang, Chun Wang. (2020) Combination of magnetic solid-phase extraction and HPLC-UV for simultaneous determination of four phthalate esters in plastic bottled juice. FOOD CHEMISTRY, [PMID:32858384] [10.1016/j.foodchem.2020.127855] |
| 4. Qianqian Wang, Weihua Liu, Lin Hao, Chun Wang, Qiuhua Wu, Zhi Wang. (2020) Fabrication of magnetic porous organic framework for effective enrichment and assay of nitroimidazoles in chicken meat. FOOD CHEMISTRY, [PMID:32619936] [10.1016/j.foodchem.2020.127427] |
| 5. Wang Qianqian, Li Gaigai, Wang Chun, Wu Qiuhua, Wang Zhi. (2020) Layered porous organic frameworks as a novel adsorbent for the solid phase extraction of chlorophenols prior to their determination by HPLC-DAD. MICROCHIMICA ACTA, 187 (4): (1-11). [PMID:32152748] [10.1007/s00604-020-4195-x] |
| 6. Wenqiang Jing, Yanying Zhou, Jiaqin Wang, Miao Ni, Wentao Bi, David Da Yong Chen. (2019) Dispersive Magnetic Solid-Phase Extraction Coupled to Direct Analysis in Real Time Mass Spectrometry for High-Throughput Analysis of Trace Environmental Contaminants. ANALYTICAL CHEMISTRY, [PMID:31373488] [10.1021/acs.analchem.9b02197] |
| 7. Li Xinpei, Wang Yuanpeng, Sun Qun, Xu Bo, Yang Zhaoqing, Wang Xinghua. (2016) Molecularly Imprinted Dispersive Solid-Phase Extraction for the Determination of Triazine Herbicides in Grape Seeds by High-Performance Liquid Chromatography. JOURNAL OF CHROMATOGRAPHIC SCIENCE, 54 (5): (871-877). [PMID:27013667] [10.1093/chromsci/bmw018] |
| 8. Guijiao Zhao, Chenhuan Wang, Min Kang, Lin Hao, Weihua Liu, Zhi Wang, Xiaodong Shi, Qiuhua Wu. (2024) Construction of magnetic azo-linked porous polymer for highly-efficient enrichment and separation of phenolic endocrine disruptors from environmental water and fish. FOOD CHEMISTRY, [PMID:38350198] [10.1016/j.foodchem.2024.138698] |
| 9. Zichen Zhao, Ruiyang Ma, Juntao Wang, Qing Zhang, Miao Jing, Chun Wang, Qiuhua Wu, Zhi Wang. (2025) Preparation of boric acid functionalized hyper-crosslinked polymer for efficient extraction of phenylurea herbicides from lake water, green tea drink and tomato samples. JOURNAL OF CHROMATOGRAPHY A, [PMID:40036914] [10.1016/j.chroma.2025.465823] |
| 10. Linna Guo, Qianqian Wang, Qiuhua Wu, Chun Wang, Baojiang Chen. (2024) β-Cyclodextrin based magnetic hyper-crosslinked polymer: A recyclable adsorbent for effective preconcentration of triazine herbicides in complex sample matrices. FOOD CHEMISTRY, [PMID:39276543] [10.1016/j.foodchem.2024.141219] |
| 11. Juntao Wang, Ruiyang Ma, Yaxing Guo, Fuyuan Zhang, Seid Mahdi Jafari. (2025) Design of sulfonic acid-functionalized hyper cross-linked polymer as a mixed-mode sorbent for nitroimidazoles detection. FOOD CHEMISTRY, [PMID:41100985] [10.1016/j.foodchem.2025.146684] |
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