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Fluensulfone

CAT: 0607-B6117-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B6117-25Size:25 mg
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Description
new nematicide
CAS Number
318290-98-1
Product Name Alternative
5-chloro-2-((3,4,4-trifluorobut-3-en-1-yl)sulfonyl)thiazole
Field of Research
Others
Purity
0.9943
Form
A solid
Solubility
≥29.2 mg/mL in DMSO; insoluble in H2O; ≥105 mg/mL in EtOH
Smiles
ClC1=CN=C(S(CC/C(F)=C(F)\F)(=O)=O)S1
Molecular Formula
C7H5ClF3NO2S2
Molecular Weight
291.7
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Fluensulfone

Fluensulfone is a member of the class of 1,3-thiazoles carrying 3,4,4-trifluorobut-3-ene-1-sulfonyl and chloro substituents at positions 2 and 5 respectively. A nematicide that is effective against a number of plant parasitic nematodes in a range of agricultural and horticultural crops. It has a role as a nematicide and an agrochemical. It is a sulfone, a member of 1,3-thiazoles, an organochlorine pesticide, an organofluorine pesticide and an olefinic compound.

CAS Number318290-98-1
PubChem CID11534927
IUPAC Name5-chloro-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole
Molecular FormulaC7H5ClF3NO2S2
Molecular Weight291.7
XLogP2.5
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity378
SMILES
C1=C(SC(=N1)S(=O)(=O)CCC(=C(F)F)F)Cl
InChI
InChI=1S/C7H5ClF3NO2S2/c8-5-3-12-7(15-5)16(13,14)2-1-4(9)6(10)11/h3H,1-2H2
InChIKey
XSNMWAPKHUGZGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluensulfone
CAS: 318290-98-1
CID: 11534927
Formula: C7H5ClF3NO2S2
MW: 291.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight291.7
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass290.9402329
Monoisotopic Mass290.9402329
Topological Polar Surface Area83.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity378
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