Diethoxyphosphinothioyl diethyl phosphate (CED0213607)

Record Information

Version

1.0

Creation Date

2026-08-24 18:19:23 UTC

Update Date

2026-08-24 18:19:23 UTC

Accession Number

CHEM253154

Identification

Common Name

Diethoxyphosphinothioyl diethyl phosphate

Class

Small Molecule

Description

Diethoxyphosphinothioyl diethyl phosphate is an organic compound with the formula C8H20O6P2S and an average molecular weight of 306.26 g/mol. Diethoxyphosphinothioyl diethyl phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. This substance has been identified in or released from five recorded sources. These include electrical and electronic equipment, specifically antennas, discharge lamps, and television systems. Additionally, it is associated with food, food processing and cookware, specifically molasses and the treatment of molasses. It is also found in household cleaning and consumer products, specifically cigar cigarettes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₂₀O₆P₂S

Average Molecular Mass

306.260 g/mol

Monoisotopic Mass

306.046 g/mol

CAS Registry Number

645-78-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H20O6P2S/c1-5-10-15(9,11-6-2)14-16(17,12-7-3)13-8-4/h5-8H2,1-4H3

InChI Key

QPXWUAQRJLSJRT-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

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
37.0	Log mg/kg	[20:66]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
546	Molasses And Treatment Of Molasses	Food, food processing & cookware	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	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	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	0.544945
Click to view 3D structure	Acetylcholinesterase	P07140	Drosophila melanogaster	Predicted (SEA)	0.467095
Click to view 3D structure	Monoglyceride lipase	O35678	Mus musculus	Predicted (SEA)	122.69
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	265.388
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	113.893
Click to view 3D structure	Acetylcholinesterase	P21836	Mus musculus	Predicted (SEA)	631.201
Click to view 3D structure	Diacylglycerol acyltransferase/mycolyltransferase Ag85C	P9WQN9	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	39.8588
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	216.032
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	225.451
Click to view 3D structure	4-hydroxy-3-methylbut-2-enyl diphosphate reductase	O67625	Aquifex aeolicus (strain VF5)	Predicted (SEA)	3.19182
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	1368.98
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	5934.68
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	5556.88
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	6763.0
Click to view 3D structure	Fructose-bisphosphate aldolase class 2	P0AB71	Escherichia coli (strain K12)	Predicted (SEA)	17.7496
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	P9WNS3	Mycobacterium tuberculosis	Predicted (SEA)	11.0546
Click to view 3D structure	Fructose-bisphosphate aldolase A	P00883	Oryctolagus cuniculus	Predicted (SEA)	4.51525
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	6099.18
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	5937.95
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	1925.44
Click to view 3D structure	Fructose-bisphosphate aldolase	Q9URB4	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	8.40772
Click to view 3D structure	Triosephosphate isomerase	P00939	Oryctolagus cuniculus	Predicted (SEA)	4.12601
Click to view 3D structure	Fructose-bisphosphate aldolase	P56109	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	4.82665
Click to view 3D structure	Lysophosphatidic acid receptor 6	P43657	Humans	Predicted (SEA)	43.2842
Click to view 3D structure	Fructose-bisphosphate aldolase class II	A0A380PJR2	Yersinia pestis	Predicted (SEA)	6.61718