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Molecule
Fluensulfone
CAS: 318290-98-1 · C7H5ClF3NO2S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 318290-98-1
- Molecular Formula
- C7H5ClF3NO2S2
- Molecular Mass
- 291.70 g/mol
Identifiers
CAS Registry Number
318290-98-1
SMILES
O=S(=O)(CCC(F)=C(F)F)c1ncc(Cl)s1
InChI Key
XSNMWAPKHUGZGQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClF3NO2S2/c8-5-3-12-7(15-5)16(13,14)2-1-4(9)6(10)11/h3H,1-2H2
Names and Synonyms
- Fluensulfone Common Name
- Thiazole, 5-chloro-2-[(3,4,4-trifluoro-3-buten-1-yl)sulfonyl]- Synonym
- Thiazole, 5-chloro-2-[(3,4,4-trifluoro-3-butenyl)sulfonyl]- Synonym
- 5-Chloro-2-[(3,4,4-trifluoro-3-buten-1-yl)sulfonyl]thiazole Synonym
- 5-Chloro-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfonyl]-1,3-thiazole Synonym
- Fluensulfone Synonym
- MCW 2 Synonym
- Nimitz Synonym
- Nimitz 480EC Synonym
- fluvathiide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 291.70 g/mol | CAS Common Chemistry |
| 291.703 g/mol | RDKit | |
| 291.686 g/mol | chempirical lib | |
| 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 |
| 3.0379 | RDKit | |
| Molar Refractivity | 54.14380000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 290.94023274000006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 291.70 g/mol. Edit any field — others recompute live.
