irgarol 1051 (CHEBI:5962)

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ChEBI Name	irgarol 1051

ChEBI ID	CHEBI:5962

Definition	A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine carrying a N-tert-butyl, N'-cyclopropyl and a methylsulfanyl group at position 6.

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

Supplier Information	ChemicalBook:CB4422589, ZINC000064624955

Download	Molfile XML SDF

Formula

C11H19N5S

Net Charge

Average Mass

253.36826

Monoisotopic Mass

253.13612

InChI

InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)

InChIKey

HDHLIWCXDDZUFH-UHFFFAOYSA-N

SMILES

CSc1nc(NC2CC2)nc(NC(C)(C)C)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):	antifouling biocide A compound that inhibits the growth of marine organisms.

ChEBI Ontology
Outgoing	irgarol 1051 (CHEBI:5962) has functional parent 1,3,5-triazine-2,4-diamine (CHEBI:38071) irgarol 1051 (CHEBI:5962) has parent hydride 1,3,5-triazine (CHEBI:30259) irgarol 1051 (CHEBI:5962) has role antifouling biocide (CHEBI:51076) irgarol 1051 (CHEBI:5962) has role environmental contaminant (CHEBI:78298) irgarol 1051 (CHEBI:5962) has role xenobiotic (CHEBI:35703) irgarol 1051 (CHEBI:5962) is a aryl sulfide (CHEBI:35683) irgarol 1051 (CHEBI:5962) is a cyclopropanes (CHEBI:51454) irgarol 1051 (CHEBI:5962) is a diamino-1,3,5-triazine (CHEBI:38170)

IUPAC Name

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

Synonym	Source
Cybutryne	ChemIDplus

Brand Name	Source
Irgarol 1051	ChEBI

Citations

Last Modified

03 November 2014