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Coumaphos

CAT: 1596-AR-C08400-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C08400-06Size:250 Units
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CAS Number
56-72-4
Molecular Formula
C14H16ClO5PS
Molecular Weight
362.76
API Name
Coumarin

Chemical Information

Coumaphos

Coumaphos is an organothiophosphate insecticide, an organochlorine compound and an organic thiophosphate. It has a role as an acaricide, an agrochemical, an avicide, an antinematodal drug and an EC 3.1.1.8 (cholinesterase) inhibitor. It is functionally related to a chlorferron.

CAS Number56-72-4
PubChem CID2871
IUPAC Name3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one
Molecular FormulaC14H16ClO5PS
Molecular Weight362.8
XLogP4.5
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity499
SMILES
CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C
InChI
InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
InChIKey
BXNANOICGRISHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Coumaphos
CAS: 56-72-4
CID: 2871
Formula: C14H16ClO5PS
MW: 362.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.8
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass362.0144595
Monoisotopic Mass362.0144595
Topological Polar Surface Area86.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity499
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
MBS6042862-01Coumaphos
007066Coumaphos-d10
268700-01Coumaphos discontinued. See 007065
REPET324NPesticide Std Coumaphos Neat - 10MG
REPET325Pesticide Std Coumaphos 2000ug/mL in Acetone - 1ML
REPET324Pesticide Std Coumaphos 1000ug/mL in Acetone - 1ML

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