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Fluensulfone
CAS: 318290-98-1 | C7H5ClF3NO2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
318290-98-1
Molecular Formula:
C7H5ClF3NO2S2
Molecular Mass:
291.70 g/mol
Names and Synonyms:
Fluensulfone
Thiazole, 5-chloro-2-[(3,4,4-trifluoro-3-buten-1-yl)sulfonyl]-
Thiazole, 5-chloro-2-[(3,4,4-trifluoro-3-butenyl)sulfonyl]-
5-Chloro-2-[(3,4,4-trifluoro-3-buten-1-yl)sulfonyl]thiazole
5-Chloro-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfonyl]-1,3-thiazole
Fluensulfone
MCW 2
Nimitz
Nimitz 480EC
fluvathiide
Identifiers:
SMILES:
O=S(=O)(CCC(F)=C(F)F)c1ncc(Cl)s1
InChI:
InChI=1S/C7H5ClF3NO2S2/c8-5-3-12-7(15-5)16(13,14)2-1-4(9)6(10)11/h3H,1-2H2
Key Properties
Melting Point
34 °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 | 291.70 g/mol | CAS Common Chemistry |
| 291.703 g/mol | RDKit | |
| 290.94023274000006 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(C1=NC=C(Cl)S1)CCC(F)=C(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C7H5ClF3NO2S2/c8-5-3-12-7(15-5)16(13,14)2-1-4(9)6(10)11/h3H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XSNMWAPKHUGZGQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 34 °C | CAS Common Chemistry |
| Name | Fluensulfone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 47.03 Ų | RDKit |
| LogP | 3.0379000000000014 | RDKit |
| Molar Refractivity | 54.14380000000002 | RDKit |
