Fenchlorphos-D6

CAT: 0024-sc-495917Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-495917Size:2.5 mg

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CAS Number

33576-72-6

Chemical Information

Fenchlorphos-D6

CAS Number	33576-72-6
PubChem CID	121494025
IUPAC Name	sulfanylidene-(2,4,5-trichlorophenoxy)-bis(trideuteriomethoxy)-lambda5-phosphane
Molecular Formula	C8H8Cl3O3PS
Molecular Weight	327.6
XLogP	5.1
Topological Polar Surface Area	59.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	273

SMILES

[2H]C([2H])([2H])OP(=S)(OC1=CC(=C(C=C1Cl)Cl)Cl)OC([2H])([2H])[2H]

InChI

InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3/i1D3,2D3

InChIKey

JHJOOSLFWRRSGU-WFGJKAKNSA-N

Chemical Structure

2D Structure

CAS: 33576-72-6

CID: 121494025

Formula: C8H8Cl3O3PS

MW: 327.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.6
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	325.937396
Monoisotopic Mass	325.937396
Topological Polar Surface Area	59.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	273
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-239987	Fenchlorphos
sc-297967	1,7-Dimethylxanthine-d6 (dimethyl-d6)
sc-218470	Fenofibrate-d6
sc-211941A	β-Myrcene-d6
sc-217680	Azamethiphos-d6
sc-229001	Propene-d6
sc-219407	Norgestrel-d6
sc-219571	Pentoxifylline-d6
sc-473334	Tetrabromobisphenol A-D6
sc-474925	Sulindac-d6