EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:39175 - thiacloprid

ChEBI IDCHEBI:39175
ChEBI Namethiacloprid
Stars
DefinitionA 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.
Secondary ChEBI IDCHEBI:90201
Last Modified13 November 2015
Submitterjewie, Kirill Degtyarenko
DownloadsMolfile
FormulaC10H9ClN4S
Net Charge0
Average Mass252.730
Monoisotopic Mass252.02364
SMILESN#CN=C1SCCN1Cc1ccc(Cl)nc1
InChIInChI=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
InChIKeyHOKKPVIRMVDYPB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
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.
neonicotinoid insectide  A class of neuro-active insecticides that act at the nicotinic acetylcholine receptor.
Application:
neonicotinoid insectide  A class of neuro-active insecticides that act at the nicotinic acetylcholine receptor.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(Z)-thiacloprid (CHEBI:39176) is a thiacloprid (CHEBI:39175)
IUPAC Name 
{3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
Synonyms  Source
ThiaclopridChemIDplus
CalypsoChemIDplus
(3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamideChemIDplus
Manual XrefsDatabases
C18512KEGG COMPOUND
TH4PDBeChem
PT1715743Patent
CN103404532Patent
Registry NumbersSources
Reaxys:8553379Reaxys
CAS:111988-49-9ChemIDplus
Citations