(3z)-3-(2-chlorothioxanthen-9-ylidene)-n,n-dimethylpropan-1-amine (CED0051459)

Record Information
Version1.0
Creation Date2026-08-19 23:48:39 UTC
Update Date2026-08-19 23:48:39 UTC
SynCED IDCED0051459
Secondary Accession Numbers
  • CHEM195376
Identification
Common Name(3z)-3-(2-chlorothioxanthen-9-ylidene)-n,n-dimethylpropan-1-amine
ClassSmall Molecule
Description
(3z)-3-(2-chlorothioxanthen-9-ylidene)-n,n-dimethylpropan-1-amine is an organic compound with the chemical formula C18H18ClNS and an average molecular weight of 315.90 g/mol. (3z)-3-(2-chlorothioxanthen-9-ylidene)-n,n-dimethylpropan-1-amine belongs to the 1-benzothiopyrans, a subclass of benzothiopyrans within the organic compounds. This substance is identified as being found in or released from six recorded sources. These sources include electrical and electronic equipment, specifically amplifiers, X ray tubes, and adjustable resistors. Additionally, the compound is associated with household cleaning and consumer products, including tobacco pipes, pipe accessories, and non electric simulated smoking devices.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC18H18ClNS
Average Molecular Mass315.900 g/mol
Monoisotopic Mass315.085 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
InChI KeyWSPOMRSOLSGNFJ-AUWJEWJLSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
217.0 Log mg/kg [120:390]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000504Adjustable Resistors?Adjustable resistors, commonly used in various electronic devices, can contribute to synthetic chemical contamination through the materials and substances used in their manufacturing and disposal.Electrical & Electronic EquipmentNot Available
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentNot Available
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentNot Available
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentNot Available
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentNot Available
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentNot Available
CEDs000540X Ray Tubes?X-ray tubes are devices used to produce X-rays for various applications, including medical imaging and industrial inspections.Electrical & Electronic EquipmentNot Available
CEDs000545Food 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 & cookwareNot Available
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsNot Available
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsNot Available
CEDs000562Pipe Accessories?Pipe accessories, such as fittings, connectors, and seals, are components used in plumbing systems to facilitate the flow of liquids and gases.Household cleaning & consumer productsNot Available
CEDs000566Tobacco Pipes?Tobacco pipes, often made from materials such as plastic, wood, or metal, can serve as sources of synthetic chemical contamination due to the residues left by tobacco products.Household cleaning & consumer productsNot Available
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsNot Available
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingNot Available
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsNot Available
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsNot Available
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsNot Available
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospaceNot Available
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructureNot Available
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.592
Applicability Domain
1.0
Statistical Significance
4.60e-04
Supporting Reference Compounds
536
E-value
3.58106
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.578
Applicability Domain
1.0
Statistical Significance
7.50e-04
Supporting Reference Compounds
507
E-value
5.83869
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.578
Applicability Domain
1.0
Statistical Significance
0.0021
Supporting Reference Compounds
861
E-value
16.504
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)
Prediction Confidence Score
0.578
Applicability Domain
1.0
Statistical Significance
0.0011
Supporting Reference Compounds
425
E-value
8.56341
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.56
Applicability Domain
1.0
Statistical Significance
0.004
Supporting Reference Compounds
1103
E-value
31.3732
Click to view 3D structureHistamine H1 receptorP31390Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.514
Applicability Domain
1.0
Statistical Significance
2.00e-04
Supporting Reference Compounds
63
E-value
1.55698
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)
Prediction Confidence Score
0.495
Applicability Domain
1.0
Statistical Significance
0.0016
Supporting Reference Compounds
294
E-value
12.3002
D(1B) dopamine receptor structureClick to view 3D structureD(1B) dopamine receptorP21918HumansPredicted (SEA)
Prediction Confidence Score
0.488
Applicability Domain
1.0
Statistical Significance
0.0011
Supporting Reference Compounds
209
E-value
8.40772
Pleiotropic ABC efflux transporter of multiple drugs structureClick to view 3D structurePleiotropic ABC efflux transporter of multiple drugsP33302Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.484
Applicability Domain
1.0
Statistical Significance
1.30e-04
Supporting Reference Compounds
10
E-value
1.01204
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.446
Applicability Domain
0.509
Statistical Significance
0.0069
Supporting Reference Compounds
823
E-value
53.5603
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.446
Applicability Domain
0.509
Statistical Significance
0.0102
Supporting Reference Compounds
955
E-value
79.3284
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.446
Applicability Domain
0.509
Statistical Significance
0.0011
Supporting Reference Compounds
297
E-value
8.71911
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.434
Applicability Domain
0.489
Statistical Significance
0.0069
Supporting Reference Compounds
562
E-value
53.4046
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.431
Applicability Domain
0.489
Statistical Significance
0.0055
Supporting Reference Compounds
686
E-value
42.9728
Click to view 3D structure5-hydroxytryptamine receptor 7P32305Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
1.0
Statistical Significance
0.0036
Supporting Reference Compounds
115
E-value
27.9479
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.489
Statistical Significance
0.0095
Supporting Reference Compounds
593
E-value
74.1903
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.489
Statistical Significance
0.0033
Supporting Reference Compounds
340
E-value
26.0016
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.489
Statistical Significance
0.0049
Supporting Reference Compounds
487
E-value
38.1461
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.489
Statistical Significance
0.0116
Supporting Reference Compounds
541
E-value
90.0715
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.489
Statistical Significance
0.0032
Supporting Reference Compounds
385
E-value
24.9118
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.489
Statistical Significance
0.0015
Supporting Reference Compounds
266
E-value
11.8331
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.489
Statistical Significance
0.0044
Supporting Reference Compounds
451
E-value
34.5651
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.489
Statistical Significance
0.0023
Supporting Reference Compounds
373
E-value
17.8275
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.489
Statistical Significance
0.004
Supporting Reference Compounds
386
E-value
30.984
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.489
Statistical Significance
0.0022
Supporting Reference Compounds
310
E-value
17.2825
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available