thiamethoxam (CHEBI:39185)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	thiamethoxam

ChEBI ID	CHEBI:39185

Definition	An oxadiazane that is tetrahydro-N-nitro-4H-1,3,5-oxadiazin-4-imine bearing (2-chloro-1,3-thiazol-5-yl)methyl and methyl substituents at positions 3 and 5 respectively.

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

Supplier Information

Download	Molfile XML SDF

more structures >>

Wikipedia	License

Read full article at Wikipedia

Formula

C8H10ClN5O3S

Net Charge

Average Mass

291.71500

Monoisotopic Mass

291.01929

InChI

InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3

InChIKey

NWWZPOKUUAIXIW-UHFFFAOYSA-N

SMILES

CN1COCN(Cc2cnc(Cl)s2)C1=N[N+]([O-])=O

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

Biological Role(s):	carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. 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):	antifeedant A substance that prevents pests from feeding. neonicotinoid insectide A class of neuro-active insecticides that act at the nicotinic acetylcholine receptor.

ChEBI Ontology
Outgoing	thiamethoxam (CHEBI:39185) has functional parent 2-chlorothiazole (CHEBI:39187) thiamethoxam (CHEBI:39185) has role antifeedant (CHEBI:22583) thiamethoxam (CHEBI:39185) has role carcinogenic agent (CHEBI:50903) thiamethoxam (CHEBI:39185) has role environmental contaminant (CHEBI:78298) thiamethoxam (CHEBI:39185) has role neonicotinoid insectide (CHEBI:25540) thiamethoxam (CHEBI:39185) has role xenobiotic (CHEBI:35703) thiamethoxam (CHEBI:39185) is a 1,3-thiazoles (CHEBI:38418) thiamethoxam (CHEBI:39185) is a 2-nitroguanidine derivative (CHEBI:84773) thiamethoxam (CHEBI:39185) is a organochlorine compound (CHEBI:36683) thiamethoxam (CHEBI:39185) is a oxadiazane (CHEBI:48898)

Incoming	(E)-thiamethoxam (CHEBI:39186) is a thiamethoxam (CHEBI:39185)

IUPAC Name

3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine

Synonyms	Sources
3-((2-chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine	ChemIDplus
Thiamethoxam	ChemIDplus
TMX	ChEBI

Last Modified

28 April 2015

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag