SIMETRYN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H15N5S
Molecular Weight	213.303
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCNC1=NC(SC)=NC(NCC)=N1

InChI

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)

HIDE SMILES / InChI

Molecular Formula	C8H15N5S
Molecular Weight	213.303
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Algal growth inhibition by river water pollutants in the agricultural area around Lake Biwa, Japan.	2002	11911525
A DNA-electrochemical biosensor for screening environmental damage caused by s-triazine derivatives.	2002 Apr	12194029
Triazines in the aquatic systems of the Eastern Chinese Rivers Liao-He and Yangtse.	2002 Apr	11999621
Concentration and loading of pesticide residues in Lake Biwa basin (Japan).	2002 Jan	11766809
Effect of natural organic matter on powdered activated carbon adsorption of trace contaminants: characteristics and mechanism of competitive adsorption.	2003 Nov	14511712
Molecular and immunochemical characteristics of monoclonal and recombinant antibodies selective for the triazine herbicide simetryn and application to environmental analysis.	2005 Jun 29	15969481
Estimation of pesticide runoff from paddy fields to rural rivers.	2006	16594332
Effects of five rice herbicides on the growth of two threatened aquatic ferns.	2006 Mar	16406589
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
Alternative water management for controlling simetryn and thiobencarb runoff from paddy fields.	2006 Sep	17033864
Adsorption and desorption characteristics of several herbicides on sediment.	2007 Jan	17162561
Molecularly imprinted polymers for triazine herbicides prepared by multi-step swelling and polymerization method. Their application to the determination of methylthiotriazine herbicides in river water.	2007 Jun 8	16999969
Comparison between the short-term and the long-term toxicity of six triazine herbicides on photobacteria Q67.	2009 Apr	19203776
Mineralization of s-triazine herbicides by a newly isolated Nocardioides species strain DN36.	2010 May	20169342
Acute toxicity of rice paddy herbicides simetryn, mefenacet, and thiobencarb to Silurana tropicalis tadpoles.	2010 Sep	20537391

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:53:05 GMT 2023` Edited by `admin` on `Fri Dec 15 17:53:05 GMT 2023`
Record UNII	036180247V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SIMETRYN

Common Name

English

G-32911

Code

English

N(SUP 2),N(SUP 4)-DIETHYL-6-METHYLTHIO-1,3,5-TRIAZINE-2,4-DIAMINE

Systematic Name

English

2,4-BIS(ETHYLAMINO)-6-(METHYLTHIO)-S-TRIAZINE

Systematic Name

English

GY-BON

Brand Name

English

SIMETRYN [MI]

Common Name

English

NSC-163051

Code

English

N,N'-DIETHYL-6-(METHYLTHIO)-1,3,5-TRIAZINE-2,4-DIAMINE

Systematic Name

English

SIMETRYN [ISO]

Common Name

English

Code System Code Type Description

MESH

C033807