CHEBI:51079 - GS26575

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ChEBI Name GS26575
ChEBI ID CHEBI:51079
Definition A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a methylsulfanyl group at position 6 and a tert-buty group at the amino nitrogen atom.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H15N5S
Net Charge 0
Average Mass 213.30300
Monoisotopic Mass 213.10482
InChI InChI=1S/C8H15N5S/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)
InChIKey MWWBDLRPMWTLRX-UHFFFAOYSA-N
SMILES CSc1nc(N)nc(NC(C)(C)C)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 )
Biological Role(s): marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
Application(s): antifouling biocide
A compound that inhibits the growth of marine organisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing GS26575 (CHEBI:51079) has parent hydride 1,3,5-triazine (CHEBI:30259)
GS26575 (CHEBI:51079) has role antifouling biocide (CHEBI:51076)
GS26575 (CHEBI:51079) has role marine xenobiotic metabolite (CHEBI:83399)
GS26575 (CHEBI:51079) is a diamino-1,3,5-triazine (CHEBI:38170)
GS26575 (CHEBI:51079) is a organic sulfide (CHEBI:16385)
IUPAC Name
N-tert-butyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
Synonyms Sources
2-methylthio-4-tert-butylamino-6-amino-s-triazine ChEBI
deethylterbutryne ChEBI
M1 ChEBI
Registry Numbers Types Sources
30125-65-6 CAS Registry Number Beilstein
516009 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14987947 PubMed citation Europe PMC
18977497 PubMed citation Europe PMC
Last Modified
04 November 2014
General Comments
2014-10-29 Metabolite of Irgarol
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag