Edifenphos (CED0017223)

Record Information

Version

1.0

Creation Date

2016-05-19 02:38:23 UTC

Update Date

2026-08-19 05:52:18 UTC

Accession Number

CHEM008113

Identification

Common Name

Edifenphos

Class

Small Molecule

Description

Edifenphos is an organic compound with the chemical formula C14H15O2PS2 and an average molecular weight of 310.37 g/mol. Edifenphos belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. The compound is found in or released from 17 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, auxiliary devices, discharge lamps, electric hearing aids, electric switches, and six additional sources. In the context of food, food processing, and cookware, edifenphos is linked to the processing of fish, the preparation of malt, and fermentation processes for beer. Additionally, it is found in building and construction materials, specifically tents, canopies, or floors. Among household cleaning and consumer products, the compound is recorded in relation to cigar cigarettes.

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
BAY 78418	ChEBI
Bayer 78418	ChEBI
EDDP	ChEBI
Ediphenophos	ChEBI
O-Ethyl-S,S-diphenyl dithiophosphate	ChEBI
Phosphorodithioic acid, O-ethyl-S,S-diphenyl ester	ChEBI
O-Ethyl-S,S-diphenyl dithiophosphoric acid	Generator
Phosphorodithioate, O-ethyl-S,S-diphenyl ester	Generator
O-Ethyl S,S-diphenyl phosphorodithioic acid	Generator
Bay-hinosan	HMDB
Blastoff	HMDB
Eddp (pesticide)	HMDB
Edifenfos	HMDB
Edifenphos	HMDB
Edifenphos, bsi	HMDB
Ediphenphos	HMDB
Hinosan	HMDB
O-Aethyl-S,S-diphenyl-dithiophosphat	HMDB
O-Ethyl S,S-diphenyl dithiophosphate	HMDB
O-Ethyl-S,S-diphenyl phosphorodithioate	HMDB
Phosphorodithioic acid, O-ethyl S,S-diphenyl ester	HMDB

Chemical Formula

C₁₄H₁₅O₂PS₂

Average Molecular Mass

310.371 g/mol

Monoisotopic Mass

310.025 g/mol

CAS Registry Number

17109-49-8

IUPAC Name

ethyl bis(phenylsulfanyl)phosphinate

Traditional Name

edifenphos

SMILES

CCOP(=O)(SC1=CC=CC=C1)SC1=CC=CC=C1

InChI Identifier

InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3

InChI Key

AWZOLILCOUMRDG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Not Available

Direct Parent

Benzene and substituted derivatives

Alternative Parents

Substituents

Monocyclic benzene moiety
Sulfenyl compound
Organothiophosphorus compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organosulfur compound
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

organic thiophosphate (CHEBI:34735 )
Organophosphorus fungicides (C14436 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.0094 g/L	ALOGPS
logP	3.51	ALOGPS
logP	4.74	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Basic)	-7.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	26.3 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	81.21 m³·mol⁻¹	ChemAxon
Polarizability	31.39 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-02t9-9831000000-97556cafe393a91f33cc	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-02t9-9831000000-97556cafe393a91f33cc	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-001i-4390000000-980e874da7959c430ca9	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-3859000000-6381bfff4570556c1963	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-3392000000-19579b539a6ec329188b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9200000000-e4f4b401fe3589453a51	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a59-1798000000-daaf0455042a882650a5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a59-0941000000-cddfd0c8ee43b6b77e97	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001r-2980000000-25682945912a74e2664b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0194000000-02eb03802402e66c8cfd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0849000000-196f96fa79be325b5d08	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-3910000000-f406acb20a881086e181	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0009000000-56f950bbc74cfba37e80	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a59-2950000000-48b49d75d03d9dcd07ea	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-1900000000-60a1b839eda96d039083	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
133.0	Log mg/kg	[70:240]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
497	Floors	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
547	Preparation Of Malt	Food, food processing & cookware	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
583	Anchoring Equipment	Marine, shipping & aquaculture	Not Available
587	Gun Or Missile Launchers	Marine, shipping & aquaculture	Not Available
591	Lifeboats	Marine, shipping & aquaculture	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
620	Card Games	Recreation & sports surfaces	Not Available
621	Chutes And Slides	Recreation & sports surfaces	Not Available
622	Game Accessories	Recreation & sports surfaces	Not Available
624	Merry Go Rounds	Recreation & sports surfaces	Not Available
625	Racing Sports	Recreation & sports surfaces	Not Available
627	Roulette Games	Recreation & sports surfaces	Not Available
630	Toys	Recreation & sports surfaces	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Acetylcholinesterase	P07140	Drosophila melanogaster	Predicted (SEA)	0.389246
Click to view 3D structure	Diacylglycerol acyltransferase/mycolyltransferase Ag85C	P9WQN9	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	1.79053
Click to view 3D structure	GIM-1 protein	Q704V1	Pseudomonas aeruginosa	Predicted (SEA)	5.68299
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	56.7521
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	157.022
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	1269.57
Click to view 3D structure	Pyruvate carboxylase	A0A0H3JRU9	Staphylococcus aureus (strain Mu50 / ATCC 700699)	Predicted (SEA)	20.0072
Click to view 3D structure	Mandelate racemase	P11444	Pseudomonas putida	Predicted (SEA)	8.79696
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	2.25763
Click to view 3D structure	Monoglyceride lipase	O35678	Mus musculus	Predicted (SEA)	100.659
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1323.28
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	1348.35
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P22770	Gallus gallus	Predicted (SEA)	20.8636
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	1783.91
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	1349.13
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	1291.6
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	2339.45
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	2003.37
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	5597.83
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	771.797
Click to view 3D structure	Acetylcholinesterase	P21836	Mus musculus	Predicted (SEA)	420.542
Click to view 3D structure	Protein-tyrosine kinase 2-beta	Q14289	Humans	Predicted (SEA)	2651.39
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	1324.53
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	1645.19
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	1498.6