Clothianidin


PubChem CID 86287519
Molecular Formula C6H8ClN5O2S
Structure Compound Image
Synonyms
Clothianidin
210880-92-5
(E)-clothianidin
Clothianidin [ISO]
CLOTHIANIDINE
CHEBI:39177
TI-435
205510-53-8
Celero
2V9906ABKQ
1-(2-chloro-5-thiazolylmethyl)-3-methyl-2-nitroguanidine
Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-
Poncho
(E)-N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitroguanidine
(E)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
Guanidine, N-((2-chloro-5-thiazolyl)methyl)-N'-methyl-N''-nitro-, (C(E))-
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
Poncho 600
DTXSID2034465
Pancho
HSDB 7281
CLOTHIANIDIN [MI]
UNII-2V9906ABKQ
SCHEMBL21214
Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-
CCRIS 9264
CHEMBL259727
DTXCID0014465
Guanidine, N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitro-, (E)-
AMY22333
Tox21_301191
(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine
BDBM50486231
MFCD06200753
((e)-1-(2-chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine)
AKOS015900249
AKOS040744778
CGA-322704
NCGC00163946-01
NCGC00163946-02
NCGC00163946-03
NCGC00255089-01
HY-133167
CAS-210880-92-5
CS-0112847
C18508
EC 433-460-1
Clothianidin, PESTANAL(R), analytical standard
A814674
1-(2-chlorothiazol-5-yl)-1,2-dimethyl-3-nitro-guanidine
N-((2-CHLORO-5-THIAZOLYL)METHYL)-N'-METHYL-N''-NITROGUANIDINE
(E)-1-(2-CHLORO-1,3-THIAZOL-5-YL METHYL)-3-METHYL-2-NITROGUANIDINE
(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3- methyl-2-nitroguanidine (clothianidin)

Computed Descriptors


IUPAC Name 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
SMILES CN/C(=N\[N+](=O)[O-])/NCC1=CN=C(S1)Cl
Canonical SMILES CNC(=N[N+](=O)[O-])NCC1=CN=C(S1)Cl
InChI InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
InChIKey PGOOBECODWQEAB-UHFFFAOYSA-N

Computed Properties

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Molecular Weight 249.68 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 249.009
Monoisotopic Mass 249.009
Topological Polar Surface Area 123
Heavy Atom Count 15
Formal Charge 0
Complexity 258
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

Annotation

  • D010575 - Pesticides
  • D007306 - Insecticides
  • D000073943 - Neonicotinoids|D016573 - Agrochemicals
  • 20 pairs of Verified P450 and Clothianidin


    Insect Gene Symbol Validation Reference
    Anopheles funestus CYP6P9A E
    Anopheles funestus CYP6P9A R,D,E
    Anopheles funestus CYP6P9B E
    Anopheles funestus CYP6P9B R,D
    Aphis gossypii CYP6CY13 X
    Aphis gossypii CYP6CY14 R
    Aphis gossypii CYP6CY22 X
    Aphis gossypii CYP6DC1 R
    Bemisia tabaci CYP4CS5 R,D,X
    Bradysia odoriphaga CYP3828A1 R
    Bradysia odoriphaga CYP6FV21 R
    Bradysia odoriphaga CYP6QE1 R
    Bradysia odoriphaga CYP9J57 R
    Leptinotarsa decemlineata CYP9E2 R
    Myzus persicae CYP6CY3 D
    Nilaparvata lugens CYP6ER1 R
    Nilaparvata lugens CYP6ER1 R
    Nilaparvata lugens CYP6ER1 E
    Sogatella furcifera CYP4CE3 R
    Sogatella furcifera CYP6FJ3 R