clothianidin

Synonyms: "(E)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine", "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine", "(E)-N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitroguanidine", "Clothianidin", "Celero", "(E)-clothianidin".

Source: Clothianidin is a widely used neonicotinoid insecticide, which is a potent agonist ofthe nicotinic acetylcholine receptor in insects.

Identifiers:

IUPAC Name: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
CAS Number: 210880-92-5
PubChem ID: 86287519
InChiKey: PGOOBECODWQEAB-UHFFFAOYSA-N
Canonical SMILES: CNC(=N[N+](=O)[O-])NCC1=CN=C(S1)Cl

Structural Properties:

Molecular Formula: C₆H₈ClN₅O₂S
Molecular Weight: 249.673

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 15

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Hoshi, N., Hirano, T., Omotehara, T., Tokumoto, J., Umemura, Y., Mantani, Y., Tanida, T., Warita, K., Tabuchi, Y., Yokoyama, T. and Kitagawa, H., 2014. Insight into the mechanism of reproductive dysfunction caused by neonicotinoid pesticides. Biological and Pharmaceutical Bulletin, 37(9), pp.1439-1443. DOI: https://doi.org/10.1248/bpb.b14-00359. URL: https://www.jstage.jst.go.jp/article/bpb/37/9/37_b14-00359/_article/-char/ja/.