Simetryn Solution in Acetonitrile - 1000μg/mL in Acetonitrile,Uncertainty 2% , CAS No.1014-70-6

CAS: 1014-70-6 Cat. No.: BWY396723 Peso molecular: 213.3 Beilstein Registry Number: 11728 Número EC: 213-801-7
Disponible para pedir
GRADE & PURITY 1000μg/mL in Acetonitrile,Uncertainty 2%
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
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1.2ml
BWY396723-1.2ml
5

47,90US$

69,90US$
Guardar 22,00 US$ (31.47%)
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Why this grade

1000μg/mL in Acetonitrile,Uncertainty 2% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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

Sinónimos
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
Especificaciones y pureza
1000μg/mL in Acetonitrile,Uncertainty 2%
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores
Sonrisas canónicasCCNC1=NC(=NC(=N1)SC)NCC
IUPAC Name2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
InChIKeyMGLWZSOBALDPEK-UHFFFAOYSA-N
INCHI1S/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)
Isómeros SMILES CCNC1=NC(=NC(=N1)SC)NCC
WGK Alemania 3
Peso molecular 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=

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseTriazines
Subclass1,3,5-triazines
Intermediate Tree Nodes Not available
Direct ParentMethylthio-s-triazines
Alternative Parents Alkyl-2-thio-S-triazines  Alkylarylthioethers  Heteroaromatic compounds  Sulfenyl compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Protoporphyrinogen IX oxidase (35 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
petD Cytochrome b6-f complex subunit 4 (179 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Poa annua (183 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scenedesmus acutus (534 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Punto de fusión (°C)82-83°C
Peso molecular213.310 g/mol
XLogP32.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass213.105 Da
Monoisotopic Mass213.105 Da
Topological Polar Surface Area88.000 Ų
Heavy Atom Count14
Formal Charge0
Complexity143.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Preguntas frecuentes y artículos
Citations of This Product
Referencias
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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