simetryn (CHEBI:34976)

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ChEBI Name	simetryn

ChEBI ID	CHEBI:34976

Definition	A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a methylthio group at position 6.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H15N5S

Net Charge

Average Mass

213.30440

Monoisotopic Mass

213.10482

InChI

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)

InChIKey

MGLWZSOBALDPEK-UHFFFAOYSA-N

SMILES

CCNc1nc(NCC)nc(SC)n1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Application(s):	herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	simetryn (CHEBI:34976) has role herbicide (CHEBI:24527) simetryn (CHEBI:34976) is a diamino-1,3,5-triazine (CHEBI:38170) simetryn (CHEBI:34976) is a methylthio-1,3,5-triazine (CHEBI:38174)

IUPAC Name

N,N'-diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine

Synonyms	Sources
2,4-bis(ethylamino)-6-(methylthio)-s-triazine	ChemIDplus
2,4-bis(ethylamino)-6-methylthio-1,3,5-triazine	ChemIDplus
2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine	KEGG COMPOUND
2-methylthio-4,6-bis(ethylamino)-1,3,5-triazine	NIST Chemistry WebBook
2-methylthio-4,6-bis(ethylamino)-s-triazine	ChemIDplus
Gy-Bon	NIST Chemistry WebBook
N,N'-diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine	NIST Chemistry WebBook
N²,N⁴-diethyl-6-methylthio-1,3,5-triazine-2,4-diamine	ChemIDplus
Simetryn	KEGG COMPOUND

Last Modified

13 May 2014