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Ametryn - analytical standard，98.8%, high purity , CAS No.834-12-8
Basic Description
Synonyms
20B - Triazines and Urea Herbicides in Wastewater | DTXSID1023869 | Evik 80W (Salt/Mix) | 1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylthio)- | Amephyt | Caswell No. 431 | NSC163044 | NSC-163044 | S10164 | (Ethylamino)-4-(isopropylamino
Specifications & Purity
analytical standard, ≥98.8%
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
Methylthio-s-triazines
Alternative Parents
Alkyl-2-thio-S-triazines 1,3,5-triazine-2,4-diamines Secondary alkylarylamines N-aliphatic s-triazines Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methylthio-s-triazine - 2,4-diamine-s-triazine - Alkyl-2-thio-s-triazine - Aryl thioether - Amino-1,3,5-triazine - Aminotriazine - Secondary aliphatic/aromatic amine - Alkylarylthioether - N-aliphatic s-triazine - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen 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
s -triazine
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-N-ethyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
INCHI
InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
InChIKey
RQVYBGPQFYCBGX-UHFFFAOYSA-N
Smiles
CCNC1=NC(=NC(=N1)SC)NC(C)C
Isomeric SMILES
CCNC1=NC(=NC(=N1)SC)NC(C)C
WGK Germany
3
UN Number
2763
Packing Group
I
Molecular Weight
227.33
Beilstein
613099
Reaxy-Rn
613099
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=613099&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
84-85°C
Molecular Weight
227.330 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Exact Mass
227.12 Da
Monoisotopic Mass
227.12 Da
Topological Polar Surface Area
88.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
178.000
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
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13 Citations
L2103018