PubChem CID | 86287519 |
Molecular Formula | C6H8ClN5O2S |
Structure |
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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) |
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 |
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 |
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 |