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Clothianidin
CAS: 210880-92-5 | C6H8ClN5O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
210880-92-5
Molecular Formula:
C6H8ClN5O2S
Molecular Mass:
249.68 g/mol
Names and Synonyms:
Clothianidin
Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N′-methyl-N′′-nitro-, [C(E)]-
[C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N′-methyl-N′′-nitroguanidine
TI 435
Clothianidin
Poncho
Dantotsu
Fullswing
Apacz
Clutch
Clutch (insecticide)
Belay
TM 44401
Arena
V 10170
Takeloc MC 50E
Takeloc CLMN 10
Celero
(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine
Poncho 600
Dantop
(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine
Poncho 250
NipsIt Inside
Titan ST
Dantotsu 16WSG
Takeloc MC 50 Super
NipsIt
(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine
Nipsit Inside Insecticide
Takelock MC 50 super
Poncho 60 FS
Identifiers:
SMILES:
CN=C(NCc1cnc(Cl)s1)N[N+](=O)[O-]
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)
Key Properties
Melting Point
172-174 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.68 g/mol | CAS Common Chemistry |
| 249.68300000000002 g/mol | RDKit | |
| 249.008723176 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Clothianidin | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)N=C(NC)NCC=1SC(Cl)=NC1 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=PGOOBECODWQEAB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 172-174 °C | CAS Common Chemistry |
| Name | Clothianidin | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 92.45 Ų | RDKit |
| LogP | 0.6531999999999998 | RDKit |
| Molar Refractivity | 57.4528 | RDKit |
