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Pyroxasulfone

CAT: 0013-GTR19210678-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19210678-01Size:1 ml x 10 mM (in DMSO)
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Description
Pyroxasulfone is a pre-emergent herbicide that inhibits very long-chain fatty acid (VLCFA) biosynthesis in plants. It is widely used in agricultural research and serves as a biochemical tool for studying VLCFA elongases in both in vitro enzyme assays and in vivo plant physiology experiments.
CAS Number
447399-55-5
Product Name Alternative
Pyroxasulfone, Sakura, Sakura 850 WG, Sakura 85WG
Purity
99.73% (May vary between batches)
Solubility
DMSO:80 mg/mL (204.44 mM)
Smiles
Cn1nc (c (CS (=O) (=O) C2=NOC (C) (C) C2) c1OC (F) F) C (F) (F) F
Molecular Formula
C12H14F5N3O4S
Molecular Weight
391.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyroxasulfone

Pyroxasulfone is a member of the class of pyrazoles that is 1H-pyrazole substituted by methyl, trifluoromethyl, (5,5-dimethyl-4,5-dihydro-1,2-oxazole-3-sulfonyl)methyl, and difluoromethoxy groups at positions 1, 3, 4, and 5, respectively. It is a herbicide that inhibits the biosynthesis of very-long-chain fatty acids and used for the pre-emergent control of annual ryegrass, barley grass, and suppression of specific grass weeds in wheat. It has a role as a herbicide. It is a member of pyrazoles, an aromatic ether, a sulfone, an organofluorine compound and an isoxazoline.

CAS Number447399-55-5
PubChem CID11556910
IUPAC Name3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole
Molecular FormulaC12H14F5N3O4S
Molecular Weight391.32
XLogP2.1
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity632
SMILES
CC1(CC(=NO1)S(=O)(=O)CC2=C(N(N=C2C(F)(F)F)C)OC(F)F)C
InChI
InChI=1S/C12H14F5N3O4S/c1-11(2)4-7(19-24-11)25(21,22)5-6-8(12(15,16)17)18-20(3)9(6)23-10(13)14/h10H,4-5H2,1-3H3
InChIKey
CASLETQIYIQFTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyroxasulfone
CAS: 447399-55-5
CID: 11556910
Formula: C12H14F5N3O4S
MW: 391.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.32
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass391.06251792
Monoisotopic Mass391.06251792
Topological Polar Surface Area91.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity632
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
574854Pyroxasulfone
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RM-P321103-01Pyroxasulfone Impurity 3
RM-P321107-01Pyroxasulfone Impurity 7
RM-P321108-01Pyroxasulfone Impurity 8
AR-P33473-01Pyroxasulfone Impurity 2
RM-P321101-01Pyroxasulfone Impurity 1
RM-P321104-01Pyroxasulfone Impurity 4
AR-P33477-01Pyroxasulfone Impurity 6
AR-P33482-01Pyroxasulfone Impurity 11

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