(2,4-dichloro-6-nitrophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane (CED0229953)

Record Information

Version

1.0

Creation Date

2026-08-26 17:42:45 UTC

Update Date

2026-08-26 17:42:45 UTC

SynCED ID

CED0229953

Secondary Accession Numbers

CHEM273724

Identification

Common Name

(2,4-dichloro-6-nitrophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane

Class

Small Molecule

Description

(2,4-dichloro-6-nitrophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane belongs to the thiophosphoric acid esters, a subclass of organic thiophosphoric acids and derivatives within the organic compounds. This organic acid derivative has the formula C10H12Cl2NO5PS and an average molecular weight of 360.15 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₂Cl₂NO₅PS

Average Molecular Mass

Not Available

Monoisotopic Mass

358.955 g/mol

CAS Registry Number

171605-91-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCOP(=S)(OCC)OC1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-]

InChI Identifier

InChI=1S/C10H12Cl2NO5PS/c1-3-16-19(20,17-4-2)18-10-8(12)5-7(11)6-9(10)13(14)15/h5-6H,3-4H2,1-2H3

InChI Key

LVHRDEVAWFGKBI-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
49.0 Log mg/kg [30:87]	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	Description	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	PubChem
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	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
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	PubChem
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	PubChem
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	PubChem

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	Carboxylesterase	B3TNN2	Loxostege sticticalis	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.273 Low confidence Statistical Significance 1.20e-04 Supporting Reference Compounds 1 E-value 0.934191
Click to view 3D structure	Salicylate synthetase, Irp9	Q9X9I8	Yersinia enterocolitica	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.258 Low confidence Statistical Significance 1.40e-04 Supporting Reference Compounds 1 E-value 1.08989
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.34 Statistical Significance 0.0322 Supporting Reference Compounds 46 E-value 250.597
Click to view 3D structure	Dihydrofolate reductase	Q920D2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.322 Statistical Significance 0.0178 Supporting Reference Compounds 82 E-value 138.805
Click to view 3D structure	Monoglyceride lipase	O35678	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.34 Statistical Significance 0.0163 Supporting Reference Compounds 34 E-value 127.05
Click to view 3D structure	Acetylcholinesterase	P21836	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.34 Statistical Significance 0.052 Supporting Reference Compounds 58 E-value 404.894
Click to view 3D structure	G-protein coupled receptor 55	Q9Y2T6	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.276 Low confidence Statistical Significance 0.1032 Supporting Reference Compounds 125 E-value 803.482
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.254 Low confidence Statistical Significance 0.0893 Supporting Reference Compounds 117 E-value 695.583
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.281 Low confidence Statistical Significance 0.1605 Supporting Reference Compounds 205 E-value 1249.71
Click to view 3D structure	Fatty acid synthase	P49327	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.276 Low confidence Statistical Significance 0.1104 Supporting Reference Compounds 117 E-value 859.767
Click to view 3D structure	Protoporphyrinogen oxidase, mitochondrial	O24164	Nicotiana tabacum	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.227 Low confidence Statistical Significance 0.0057 Supporting Reference Compounds 1 E-value 44.4519
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.25 Low confidence Statistical Significance 0.2439 Supporting Reference Compounds 296 E-value 1898.82
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.34 Statistical Significance 0.0263 Supporting Reference Compounds 42 E-value 204.666
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.23 Low confidence Statistical Significance 0.2666 Supporting Reference Compounds 343 E-value 2075.15
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	P21453	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.254 Low confidence Statistical Significance 0.2001 Supporting Reference Compounds 126 E-value 1557.92
Click to view 3D structure	Calpain-2 catalytic subunit	P43367	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.246 Low confidence Statistical Significance 0.1021 Supporting Reference Compounds 63 E-value 794.529
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.34 Statistical Significance 0.3969 Supporting Reference Compounds 472 E-value 3090.07
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.34 Statistical Significance 0.3461 Supporting Reference Compounds 407 E-value 2694.28
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.281 Low confidence Statistical Significance 0.2873 Supporting Reference Compounds 226 E-value 2236.76
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.281 Low confidence Statistical Significance 0.2878 Supporting Reference Compounds 227 E-value 2240.5
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.233 Low confidence Statistical Significance 0.2478 Supporting Reference Compounds 166 E-value 1929.49
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.34 Statistical Significance 0.4548 Supporting Reference Compounds 406 E-value 3540.43
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.25 Low confidence Statistical Significance 0.146 Supporting Reference Compounds 111 E-value 1136.83
Click to view 3D structure	Chloroquine resistance transporter	Q9N623	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.215 Low confidence Statistical Significance 0.0083 Supporting Reference Compounds 1 E-value 64.9263
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.242 Low confidence Statistical Significance 0.4321 Supporting Reference Compounds 425 E-value 3363.63