terbutryn (CHEBI:44156)

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ChEBI Name	terbutryn

ChEBI ID	CHEBI:44156

Definition	A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by a tert-butylamino and an ethylamino group at positions 2 and 4 respectively.

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

Secondary ChEBI IDs	CHEBI:44152, CHEBI:26867

Supplier Information	ChemicalBook:CB9412718, eMolecules:510251, ZINC000002008092

Download	Molfile XML SDF

Formula

C10H19N5S

Net Charge

Average Mass

241.35756

Monoisotopic Mass

241.13612

InChI

InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)

InChIKey

IROINLKCQGIITA-UHFFFAOYSA-N

SMILES

CCNc1nc(NC(C)(C)C)nc(SC)n1

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

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

ChEBI Ontology
Outgoing	terbutryn (CHEBI:44156) has role environmental contaminant (CHEBI:78298) terbutryn (CHEBI:44156) has role herbicide (CHEBI:24527) terbutryn (CHEBI:44156) has role xenobiotic (CHEBI:35703) terbutryn (CHEBI:44156) is a diamino-1,3,5-triazine (CHEBI:38170) terbutryn (CHEBI:44156) is a methylthio-1,3,5-triazine (CHEBI:38174)

IUPAC Name

N-(tert-butyl)-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine

Synonyms	Sources
2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazine	ChEBI
2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazine	NIST Chemistry WebBook
2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)triazine	UM-BBD
2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE	PDBeChem
2-tert-butylamino-4-ethylamino-6-methylthio-[1,3,5]triazine	NIST Chemistry WebBook
N-(1,1-dimethylethyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine	NIST Chemistry WebBook
N-(tert-butyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine	ChEBI
N²-tert-butyl-N⁴-ethyl-6-methylthio-1,3,5-triazine-2,4-diamine	ChemIDplus
terbutryn	UM-BBD
Terbutryne	ChemIDplus

Last Modified

04 November 2014

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag