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Dichlofenthion

CAT: 0013-GTR19199302-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199302-01Size:25 mg
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Description
Dichlofenthion is an organophosphate compound used as a pesticide and nematicide. In research, it serves as a reference standard in environmental and toxicological studies, including in vitro assays investigating acetylcholinesterase inhibition and metabolism.
CAS Number
97-17-6
Smiles
S=P (OC1=CC=C (Cl) C=C1Cl) (OCC) OCC
Molecular Formula
C10H13Cl2O3PS
Molecular Weight
315.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dichlofenthion

Dichlofenthion is an organic thiophosphate.

CAS Number97-17-6
PubChem CID7328
IUPAC Name(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
Molecular FormulaC10H13Cl2O3PS
Molecular Weight315.15
XLogP5.1
Topological Polar Surface Area59.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity270
SMILES
CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3
InChIKey
WGOWCPGHOCIHBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dichlofenthion
CAS: 97-17-6
CID: 7328
Formula: C10H13Cl2O3PS
MW: 315.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.15
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass313.9700078
Monoisotopic Mass313.9700078
Topological Polar Surface Area59.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity270
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-D431550-250MGDichlofenthion

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