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Sulfluramid

CAT: 0862-GW4656-250mgSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0862-GW4656-250mgSize:250 mg
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CAS Number
4151-50-2
Storage Conditions
+4°C
Hazardous Class
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Chemical Information

Volcano

Sulfluramid is a sulfonamide obtained by the formal condensation of perfluorooctane-1-sulfonic acid with ethylamine. It has a role as an acaricide, an insecticide, a xenobiotic and an environmental contaminant. It is functionally related to an ethylamine and a perfluorooctane-1-sulfonic acid.

CAS Number4151-50-2
PubChem CID77797
IUPAC NameN-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Molecular FormulaC10H6F17NO2S
Molecular Weight527.20
XLogP5.6
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count20
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity763
SMILES
CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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
InChIKey
CCEKAJIANROZEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Volcano
CAS: 4151-50-2
CID: 77797
Formula: C10H6F17NO2S
MW: 527.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.20
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count20
Rotatable Bond Count9
Exact Mass526.9847784
Monoisotopic Mass526.9847784
Topological Polar Surface Area54.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity763
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-S699090-250MGSulfluramid
466622-01Sulfluramid-d5

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