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Dipropetryn - analytical standard, high purity , CAS No.4147-51-7
Basic Description
Synonyms
1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(ethylthio)- | Dipropetryne [ISO-French] | GS 16068 | 6-(Ethylthio)-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine | 6-(ethylthio)-N2,N4-diisopropyl-1,3,5-triazine-2,4-diamine | s-Triazine, 2-(ethy
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazines
Subclass
1,3,5-triazines
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl-2-thio-S-triazines
Alternative Parents
Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
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 alkyl-2-thio-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a S-alkyl 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.
Names and Identifiers
IUPAC Name
6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
INCHI
InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)
InChIKey
NPWMZOGDXOFZIN-UHFFFAOYSA-N
Smiles
CCSC1=NC(=NC(=N1)NC(C)C)NC(C)C
Isomeric SMILES
CCSC1=NC(=NC(=N1)NC(C)C)NC(C)C
WGK Germany
2
RTECS
XY4100000
UN Number
3077
Molecular Weight
255.38
Beilstein
614796
Reaxy-Rn
614796
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=614796&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
255.390 g/mol
XLogP3
3.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
6
Exact Mass
255.152 Da
Monoisotopic Mass
255.152 Da
Topological Polar Surface Area
88.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
194.000
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
1.
Jilong Li, Fengze Wu, Yupu Zhang, Ji Feng, Xiujuan Wang, Yi Yang, Zhibing Wang, Hanqi Zhang.
(2023)
Application of supramolecular solvent based on the surface-active ionic liquid in dispersive liquid–liquid microextraction of triazine herbicides in tea samples. FOOD CHEMISTRY,
399
(133901).
2.
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,
91
(17):
(11240–11246).
3.
Xinpei Li, Shigang Wei, Ying Sun, Qun Sun, Li Liang, Bo Zhang, Huilan Piao, Daqian Song, Xinghua Wang.
(2016)
Glass slides functionalized by 1-carboxyethyl-3-methylimidazolium chloride for the determination of triazine herbicides in rice using high-performance liquid chromatography. JOURNAL OF SEPARATION SCIENCE,
39
(23):
(4585-4591).
4.
Xinpei Li, Yuanpeng Wang, Qun Sun, Bo Xu, Yong Yu, Xinghua Wang.
(2016)
Molecularly imprinted solid phase extraction in a syringe filter for determination of triazine herbicides in Radix Paeoniae Alba by ultra-fast liquid chromatography. TALANTA,
148
(539).
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4 Citations
C2330357