Cybutryne

Synonyms: Cybutryne, "Irgarol", "Cybutryne [ISO]", "2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine", "2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine", "N'-tert-Butyl-N-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine", "N2-(tert-Butyl)-N4-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine"

Source: cybutryne, is a common booster biocide added to antifouling paints to prevent adhesion and growth of algae.

Identifiers:

IUPAC Name: 2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CAS Number: 28159-98-0
PubChem ID: 91590
InChiKey: HDHLIWCXDDZUFH-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC

Structural Properties:

Molecular Formula: C₁₁H₁₉N₅S
Molecular Weight: 253,370

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 6
Number of atoms different from hydrogen: 17

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Evidence Supporting This Chemical as an Emerging Contaminant

Loos, R., Tavazzi, S., Mariani, G., Suurkuusk, G., Paracchini, B., & Umlauf, G. (2017). Analysis of emerging organic contaminants in water, fish and suspended particulate matter (SPM) in the Joint Danube Survey using solid-phase extraction followed by UHPLC-MS-MS and GC?MS analysis. Science of the Total Environment, 607, 1201-1212.

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