Products for Research Use Only

Quintiofos

CAT: 0013-GTR19274313-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274313-02Size:10 mg
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Description
Quintiofos (Oxinothiofos) is an insecticide that inhibits the activity of acetylcholinesterase (Cholinesterase (ChE) ) in insects, leading to neural transmission disruption, effectively killing pests. It is applicable for controlling various pests, such as aphids, whiteflies, and borers.
CAS Number
1776-83-6
Smiles
S=P (OC=1C=CC=C2C=CC=NC12) (OCC) C=3C=CC=CC3
Molecular Formula
C17H16NO2PS
Molecular Weight
329.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Quintiofos
CAS Number1776-83-6
PubChem CID72069
IUPAC Nameethoxy-phenyl-quinolin-8-yloxy-sulfanylidene-lambda5-phosphane
Molecular FormulaC17H16NO2PS
Molecular Weight329.4
XLogP5.2
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity400
SMILES
CCOP(=S)(C1=CC=CC=C1)OC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C17H16NO2PS/c1-2-19-21(22,15-10-4-3-5-11-15)20-16-12-6-8-14-9-7-13-18-17(14)16/h3-13H,2H2,1H3
InChIKey
OYFLKNAULOKYRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quintiofos
CAS: 1776-83-6
CID: 72069
Formula: C17H16NO2PS
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass329.06393692
Monoisotopic Mass329.06393692
Topological Polar Surface Area63.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity400
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

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