CHEBI:44156 - terbutryn

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name terbutryn
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
Download Molfile XML SDF
Formula C10H19N5S
Net Charge 0
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)
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.
View more via ChEBI Ontology
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)
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-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
Manual Xrefs Databases
624 PPDB
c0256 UM-BBD
DB08215 DrugBank
terbutryn Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
611817 Beilstein Registry Number Beilstein
611817 Reaxys Registry Number Reaxys
886-50-0 CAS Registry Number NIST Chemistry WebBook
886-50-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11201052 PubMed citation Europe PMC
18049772 PubMed citation Europe PMC
7108146 PubMed citation Europe PMC
Last Modified
04 November 2014
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag