Fenthion-d6

CAT: 0024-sc-218473Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-218473Size:1 mg

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CAS Number

1189662-83-6

Chemical Information

(3-Methyl-4-methylsulfanylphenoxy)-sulfanylidene-bis(trideuteriomethoxy)-lambda5-phosphane

CAS Number	1189662-83-6
PubChem CID	45039252
IUPAC Name	(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-bis(trideuteriomethoxy)-lambda5-phosphane
Molecular Formula	C10H15O3PS2
Molecular Weight	284.4
XLogP	4.1
Topological Polar Surface Area	85.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	254

SMILES

[2H]C([2H])([2H])OP(=S)(OC1=CC(=C(C=C1)SC)C)OC([2H])([2H])[2H]

InChI

InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3/i2D3,3D3

InChIKey

PNVJTZOFSHSLTO-XERRXZQWSA-N

Chemical Structure

2D Structure

CAS: 1189662-83-6

CID: 45039252

Formula: C10H15O3PS2

MW: 284.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.4
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	284.05768416
Monoisotopic Mass	284.05768416
Topological Polar Surface Area	85.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	254
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-498121	Fenthion Sulfone-d6
sc-498120	Fenthion Sulfoxide-d6
sc-252823	Fenthion
sc-235132	Fenthion-sulfone
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