GS26575 (CHEBI:51079)

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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	ChemicalBook:CB9454820, eMolecules:530768, Selleckchem:pmsf-phenylmethylsulfonyl-fluoride, ZINC000008220691

Download	Molfile XML SDF

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Formula

C8H15N5S

Net Charge

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.

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

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