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Molecule
Sulfluramid
CAS: 4151-50-2 · C10H6F17NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4151-50-2
- Molecular Formula
- C10H6F17NO2S
- Molecular Mass
- 527.20 g/mol
Identifiers
CAS Registry Number
4151-50-2
SMILES
CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
CCEKAJIANROZEO-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3
Names and Synonyms
- Sulfluramid Common Name
- 1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro- Synonym
- N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide Synonym
- GX 071 Synonym
- AI 3-29757 Synonym
- Sulfluramid Synonym
- FiniTron Synonym
- N-Ethylperfluorooctanesulfonamide Synonym
- Alstar Synonym
- Alstar (pesticide) Synonym
- N-Ethylperfluorooctylsulfonamide Synonym
- Mirex S Synonym
- Volcano Synonym
- Volcano (insecticide) Synonym
- FX 12 Synonym
- N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide Synonym
- Sulfluramide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 527.20 g/mol | CAS Common Chemistry |
| 527.196 g/mol | RDKit | |
| 527.189 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfluramid | CAS Common Chemistry |
| Boiling Point | 196 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(NCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CCEKAJIANROZEO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96 °C | CAS Common Chemistry |
| Name | Volcano | CAS Common Chemistry |
| Sulfluramid | CAS Common Chemistry | |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.17 Ų | RDKit |
| LogP | 4.892600000000002 | RDKit |
| 4.8926 | RDKit | |
| Molar Refractivity | 63.28049999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 526.984779172 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 527.20 g/mol. Edit any field — others recompute live.
