Diethoxy-[(5-methyl-1h-pyrazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane (CED0313381)

Record Information

Version

1.0

Creation Date

2026-09-01 12:53:39 UTC

Update Date

2026-09-01 12:53:39 UTC

Accession Number

CHEM359237

Identification

Common Name

Diethoxy-[(5-methyl-1h-pyrazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane

Class

Small Molecule

Description

Diethoxy-[(5-methyl-1h-pyrazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane is a chemical compound with the formula C8H15N2O3PS and an average molecular weight of 250.26 g/mol. This substance has been identified in or released from a recorded source associated with food, food processing, and cookware, specifically within the context of food preservation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₅N₂O₃PS

Average Molecular Mass

Not Available

Monoisotopic Mass

250.054 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCOP(=S)(OCC)OC1=NNC(=C1)C

InChI Identifier

InChI=1S/C8H15N2O3PS/c1-4-11-14(15,12-5-2)13-8-6-7(3)9-10-8/h6H,4-5H2,1-3H3,(H,9,10)

InChI Key

NKADQNIAHIXOIZ-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
18.0	Log mg/kg	[10:32]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
596	Acaricides	Agriculture & land management	Not Available
600	Herbicides And Algicides	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
606	Plant Growth Regulators	Agriculture & land management	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
632	Apparel	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	Aurora kinase A	O14965	Humans	Predicted (SEA)	5331.11
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	5922.3
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	7127.25
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	3627.54
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	3412.91
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	7268.31
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	6515.75
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	6723.99
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	6423.81
Click to view 3D structure	Serine/threonine-protein kinase PAK 4	O96013	Humans	Predicted (SEA)	6252.38
Click to view 3D structure	Ras-related protein Rab-7L1	O14966	Humans	Predicted (SEA)	47.488
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	6412.21
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	6656.5
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	7042.86
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	6647.08
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	6825.2
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	6820.6
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	3638.36
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	2879.33
Click to view 3D structure	Mitogen-activated protein kinase 8	P45983	Humans	Predicted (SEA)	6763.15
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	7095.33
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	6670.43
Click to view 3D structure	Hydroxycarboxylic acid receptor 2	Q8TDS4	Humans	Predicted (SEA)	210.582
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	6717.61
Click to view 3D structure	Cyclin-dependent kinase 8	P49336	Humans	Predicted (SEA)	6190.18