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Molecule
V 10170
CAS: 210880-92-5 · C6H8ClN5O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 210880-92-5
- Molecular Formula
- C6H8ClN5O2S
- Molecular Mass
- 249.68 g/mol
Identifiers
CAS Registry Number
210880-92-5
SMILES
CN=C(NCc1cnc(Cl)s1)N[N+](=O)[O-]
InChI Key
PGOOBECODWQEAB-UHFFFAOYSA-N
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)
Names and Synonyms
- V 10170 Synonym
- Takeloc MC 50E Synonym
- Takeloc CLMN 10 Synonym
- Celero Synonym
- Clothianidin Synonym
- Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N′-methyl-N′′-nitro-, [C(E)]- Synonym
- [C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N′-methyl-N′′-nitroguanidine Synonym
- TI 435 Synonym
- Clothianidin Synonym
- Poncho Synonym
- Dantotsu Synonym
- Fullswing Synonym
- Apacz Synonym
- Clutch Synonym
- Clutch (insecticide) Synonym
- Belay Synonym
- TM 44401 Synonym
- Arena Synonym
- (E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine Synonym
- Poncho 600 Synonym
- Dantop Synonym
- (E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine Synonym
- Poncho 250 Synonym
- NipsIt Inside Synonym
- Titan ST Synonym
- Dantotsu 16WSG Synonym
- Takeloc MC 50 Super Synonym
- NipsIt Synonym
- (E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine Synonym
- Nipsit Inside Insecticide Synonym
- Takelock MC 50 super Synonym
- Poncho 60 FS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.68 g/mol | CAS Common Chemistry |
| 249.68300000000002 g/mol | RDKit | |
| 249.683 g/mol | RDKit | |
| 249.673 g/mol | chempirical lib | |
| 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 |
| 0.6532 | RDKit | |
| Molar Refractivity | 57.4528 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 249.008723176 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 249.68 g/mol. Edit any field — others recompute live.
