(6-chloro-3,4-dihydro-2h-thiochromen-4-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane (CED0144046)

Record Information

Version

1.0

Creation Date

2026-08-19 01:19:07 UTC

Update Date

2026-08-19 01:19:07 UTC

SynCED ID

CED0144046

Secondary Accession Numbers

CHEM173710

Identification

Common Name

(6-chloro-3,4-dihydro-2h-thiochromen-4-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

Class

Small Molecule

Description

(6-chloro-3,4-dihydro-2h-thiochromen-4-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane belongs to the thiochromanes, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C13H18ClO2PS3 and an average molecular weight of 368.90 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₁₈ClO₂PS₃

Average Molecular Mass

368.900 g/mol

Monoisotopic Mass

367.990 g/mol

CAS Registry Number

41219-31-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C13H18ClO2PS3/c1-3-15-17(18,16-4-2)20-13-7-8-19-12-6-5-10(14)9-11(12)13/h5-6,9,13H,3-4,7-8H2,1-2H3

InChI Key

QNZZKGBRJAVCIQ-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
104.0 Log mg/kg [60:180]	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
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	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
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	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
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
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	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	D(3) dopamine receptor	P19020	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.269 Low confidence Statistical Significance 0.0536 Supporting Reference Compounds 145 E-value 417.661
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.269 Low confidence Statistical Significance 0.1113 Supporting Reference Compounds 528 E-value 866.618
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.269 Low confidence Statistical Significance 0.0859 Supporting Reference Compounds 380 E-value 668.88
Click to view 3D structure	D(1A) dopamine receptor	P18901	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.269 Low confidence Statistical Significance 0.0482 Supporting Reference Compounds 206 E-value 375.155
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.268 Low confidence Statistical Significance 0.2371 Supporting Reference Compounds 823 E-value 1845.57
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.266 Low confidence Statistical Significance 0.2704 Supporting Reference Compounds 1103 E-value 2105.43
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.266 Low confidence Statistical Significance 0.176 Supporting Reference Compounds 507 E-value 1370.15
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.269 Low confidence Statistical Significance 0.2167 Supporting Reference Compounds 506 E-value 1687.07
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.266 Low confidence Statistical Significance 0.2299 Supporting Reference Compounds 524 E-value 1789.52
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.268 Low confidence Statistical Significance 0.3023 Supporting Reference Compounds 686 E-value 2353.46
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.268 Low confidence Statistical Significance 0.2631 Supporting Reference Compounds 593 E-value 2048.21
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.268 Low confidence Statistical Significance 0.3876 Supporting Reference Compounds 955 E-value 3017.51
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.266 Low confidence Statistical Significance 0.2463 Supporting Reference Compounds 536 E-value 1917.19
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.268 Low confidence Statistical Significance 0.2403 Supporting Reference Compounds 451 E-value 1870.41
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.258 Low confidence Statistical Significance 0.636 Supporting Reference Compounds 1130 E-value 4951.21
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.239 Low confidence Statistical Significance 0.4157 Supporting Reference Compounds 861 E-value 3236.04
Click to view 3D structure	Mitochondrial sodium/calcium exchanger protein	Q6J4K2	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.231 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 1 E-value 22.1092
Click to view 3D structure	Alpha-1A adrenergic receptor	P18130	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.266 Low confidence Statistical Significance 0.0658 Supporting Reference Compounds 85 E-value 512.637
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.258 Low confidence Statistical Significance 0.5915 Supporting Reference Compounds 793 E-value 4604.55
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.239 Low confidence Statistical Significance 0.2925 Supporting Reference Compounds 425 E-value 2277.25
Click to view 3D structure	Alpha-1D adrenergic receptor	P23944	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.266 Low confidence Statistical Significance 0.0927 Supporting Reference Compounds 105 E-value 721.974
Click to view 3D structure	Alpha-1B adrenergic receptor	P18841	Mesocricetus auratus	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.266 Low confidence Statistical Significance 0.0186 Supporting Reference Compounds 40 E-value 144.644
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.239 Low confidence Statistical Significance 0.7899 Supporting Reference Compounds 1498 E-value 6149.47
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.235 Low confidence Statistical Significance 0.5065 Supporting Reference Compounds 953 E-value 3943.37
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.239 Low confidence Statistical Significance 0.3697 Supporting Reference Compounds 487 E-value 2878.32