Ethylsulfinylmethylsulfanyl-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane (CED0224653)

Record Information

Version

1.0

Creation Date

2026-08-25 16:06:06 UTC

Update Date

2026-08-25 16:06:06 UTC

SynCED ID

CED0224653

Secondary Accession Numbers

CHEM267042

Identification

Common Name

Ethylsulfinylmethylsulfanyl-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane

Class

Small Molecule

Description

Ethylsulfinylmethylsulfanyl-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane is an organic compound with the formula C9H21O3PS3 and an average molecular weight of 304.40 g/mol. Ethylsulfinylmethylsulfanyl-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane belongs to the dithiophosphate o-esters, a subclass of organic dithiophosphoric acids and derivatives within the organic compounds. This substance has been found in or released from two recorded sources, specifically electrical and electronic equipment including television systems and radio transmission systems.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₂₁O₃PS₃

Average Molecular Mass

304.400 g/mol

Monoisotopic Mass

304.039 g/mol

CAS Registry Number

5827-05-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H21O3PS3/c1-6-16(10)7-15-13(14,11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3

InChI Key

KOTOUBGHZHWCCJ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

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

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1.74 Log mg/kg [1:3.1]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	Not Available
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	Not Available
CEDs000537	Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.	Electrical & Electronic Equipment	Not Available
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	Not Available
CEDs000583	Anchoring Equipment?Anchoring equipment, commonly used in marine applications, can be a source of synthetic chemical contamination due to the materials and coatings utilized in their manufacturing.	Marine, shipping & aquaculture	Not Available
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	Not Available
CEDs000598	Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.	Agriculture & land management	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	Not Available
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	Not Available
CEDs000643	Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.	Textiles, leather & furnishings	Not Available
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	Not Available
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	Not Available
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathwaysPathway Source: PathBank

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	P21836	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.268 Low confidence Statistical Significance 0.2237 Supporting Reference Compounds 58 E-value 1741.49
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.268 Low confidence Statistical Significance 0.285 Supporting Reference Compounds 46 E-value 2218.78
Click to view 3D structure	Monoglyceride lipase	O35678	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.268 Low confidence Statistical Significance 0.1954 Supporting Reference Compounds 34 E-value 1520.86
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.273 Low confidence Statistical Significance 0.912 Supporting Reference Compounds 406 E-value 7099.62
Click to view 3D structure	Acetylcholinesterase	P07140	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.2 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 2 E-value 15.492
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.171 Low confidence Statistical Significance 0.2272 Supporting Reference Compounds 21 E-value 1769.12
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.171 Low confidence Statistical Significance 0.4735 Supporting Reference Compounds 30 E-value 3686.16
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.268 Low confidence Statistical Significance 0.5069 Supporting Reference Compounds 42 E-value 3946.02
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.268 Low confidence Statistical Significance 0.7998 Supporting Reference Compounds 83 E-value 6226.46
Click to view 3D structure	Acetylcholinesterase	O42275	Electrophorus electricus	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.273 Low confidence Statistical Significance 0.9506 Supporting Reference Compounds 206 E-value 7400.42
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.182 Low confidence Statistical Significance 0.981 Supporting Reference Compounds 297 E-value 7637.16
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.273 Low confidence Statistical Significance 0.3199 Supporting Reference Compounds 20 E-value 2490.4
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.15 Low confidence Statistical Significance 0.0117 Supporting Reference Compounds 2 E-value 91.1614
Click to view 3D structure	Cholinesterase	P81908	Equus caballus	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.167 Low confidence Statistical Significance 0.9697 Supporting Reference Compounds 201 E-value 7548.96
Click to view 3D structure	Butyrylcholinesterase	Q9N1N9	Equus caballus	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.167 Low confidence Statistical Significance 0.7349 Supporting Reference Compounds 44 E-value 5721.45
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.167 Low confidence Statistical Significance 0.7588 Supporting Reference Compounds 31 E-value 5906.97
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.167 Low confidence Statistical Significance 0.7477 Supporting Reference Compounds 40 E-value 5821.18
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.182 Low confidence Statistical Significance 0.9939 Supporting Reference Compounds 373 E-value 7737.2
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.182 Low confidence Statistical Significance 0.9941 Supporting Reference Compounds 385 E-value 7738.91
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.182 Low confidence Statistical Significance 0.993 Supporting Reference Compounds 310 E-value 7730.35
Click to view 3D structure	Phospholipase B	Q9P8P2	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.139 Low confidence Statistical Significance 0.0077 Supporting Reference Compounds 1 E-value 60.0218
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.167 Low confidence Statistical Significance 0.9851 Supporting Reference Compounds 234 E-value 7668.77
Click to view 3D structure	Aminopeptidase N	P04825	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.136 Low confidence Statistical Significance 0.019 Supporting Reference Compounds 1 E-value 147.991
Click to view 3D structure	Acetylcholinesterase	K4JQ36	Laodelphax striatella	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.173 Low confidence Statistical Significance 0.1938 Supporting Reference Compounds 3 E-value 1508.41
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.149 Low confidence Statistical Significance 0.9887 Supporting Reference Compounds 407 E-value 7697.34