terbutryn

Synonyms: terbutryne, "clarosan", "shortstop", "prebane", "terbutrex", "igran"

Source: terbutryn is a selective herbicide and a triazine compound.

Identifiers:

IUPAC Name: 2-N-tert-butyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CAS Number: 886-50-0
PubChem ID: 13450
InChiKey: IROINLKCQGIITA-UHFFFAOYSA-N
Canonical SMILES: CCNC1=NC(=NC(=N1)SC)NC(C)(C)C

Structural Properties:

Molecular Formula: C₁₀H₁₉N₅S
Molecular Weight: 241.36

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 6
Number of atoms different from hydrogen: 16

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Evidence Supporting This Chemical as an Emerging Contaminant

Hermes, N., Jewell, K., Wick, A., & Ternes, T. (2018). Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring. Journal of Chromatography A, 1531, 64?73.

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2D-structure

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