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Profenofos

CAT: 0931-T38288-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T38288-01Size:1 mL - 10 mM (in DMSO)
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CAS Number
41198-08-7
Target
Cholinesterase (ChE)
Related Pathways
Neuroscience
Purity
0.9724
Bioactivity
Profenofos is a broad-spectrum organophosphate insecticide used primarily for pest and mite control in cotton and vegetables. Profenofos causes neurotoxicity in insects and mites by interfering with nerve signaling through the inhibition of acetylcholinesterase (AChE) activity.Profenofos is relatively stable in the environment but breaks down rapidly under alkaline conditions.
Smiles
O=P(OC1=CC=C(Br)C=C1Cl)(OCC)SCCC
Molecular Formula
C11H15BrClO3PS
Molecular Weight
373.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Profenofos

Profenofos is an organochlorine insecticide, an organophosphate insecticide, an organic thiophosphate and a member of monochlorobenzenes. It has a role as an acaricide, an agrochemical and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to a 4-bromo-2-chlorophenol.

CAS Number41198-08-7
PubChem CID38779
IUPAC Name4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
Molecular FormulaC11H15BrClO3PS
Molecular Weight373.63
XLogP4.7
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity295
SMILES
CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
InChIKey
QYMMJNLHFKGANY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Profenofos
CAS: 41198-08-7
CID: 38779
Formula: C11H15BrClO3PS
MW: 373.63
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight373.63
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass371.93514
Monoisotopic Mass371.93514
Topological Polar Surface Area60.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity295
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes