thiacloprid (CHEBI:39175)

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ChEBI Name	thiacloprid

ChEBI ID	CHEBI:39175

Definition	A nitrile that is cyanamide in which the hydrogens are replaced by a 1,3-thiazolidin-2-ylidene group which in turn is substituted by a (6-chloropyridin-3-yl)methyl group at the ring nitrogen.

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

Submitter	jewie

Secondary ChEBI IDs	CHEBI:90201

Supplier Information

Download	Molfile XML SDF

Formula

C10H9ClN4S

Net Charge

Average Mass

252.72412

Monoisotopic Mass

252.02365

InChI

InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2

InChIKey

HOKKPVIRMVDYPB-UHFFFAOYSA-N

SMILES

Clc1ccc(CN2CCSC2=NC#N)cn1

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	neonicotinoid insectide A class of neuro-active insecticides that act at the nicotinic acetylcholine receptor. 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):	neonicotinoid insectide A class of neuro-active insecticides that act at the nicotinic acetylcholine receptor.

ChEBI Ontology
Outgoing	thiacloprid (CHEBI:39175) has functional parent 2-chloropyridine (CHEBI:39174) thiacloprid (CHEBI:39175) has functional parent cyanamide (CHEBI:16698) thiacloprid (CHEBI:39175) has role environmental contaminant (CHEBI:78298) thiacloprid (CHEBI:39175) has role neonicotinoid insectide (CHEBI:25540) thiacloprid (CHEBI:39175) has role xenobiotic (CHEBI:35703) thiacloprid (CHEBI:39175) is a monochloropyridine (CHEBI:39172) thiacloprid (CHEBI:39175) is a nitrile (CHEBI:18379) thiacloprid (CHEBI:39175) is a thiazolidines (CHEBI:35622)

Incoming	(Z)-thiacloprid (CHEBI:39176) is a thiacloprid (CHEBI:39175)

IUPAC Name

{3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide

Synonyms	Sources
(3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide	ChemIDplus
Calypso	ChemIDplus
Thiacloprid	ChemIDplus

Last Modified

13 November 2015