1,3,5-trichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene (CED0233013)

Record Information
Version1.0
Creation Date2026-08-26 20:58:20 UTC
Update Date2026-08-26 20:58:20 UTC
Accession NumberCHEM276908
Identification
Common Name1,3,5-trichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
ClassSmall Molecule
Description
1,3,5-trichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene belongs to the phenoxy compounds, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the chemical formula C11H14Cl3O3PS and an average molecular weight of 363.60 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC11H14Cl3O3PS
Average Molecular MassNot Available
Monoisotopic Mass361.947 g/mol
CAS Registry Number38524-82-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCSP(=O)(OCC)OC1=C(C=C(C=C1Cl)Cl)Cl
InChI IdentifierInChI=1S/C11H14Cl3O3PS/c1-3-5-19-18(15,16-4-2)17-11-9(13)6-8(12)7-10(11)14/h6-7H,3-5H2,1-2H3
InChI KeyJJSBMWMYKICVIZ-UHFFFAOYSA-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
223.0Log mg/kg[130:400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
598Fertiliser DistributorsAgriculture & land managementNot Available
604Pest AttractantsAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAcetylcholinesteraseP07140Drosophila melanogasterPredicted (SEA)0.389246
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)278.233
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)101.438
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)136.703
Click to view 3D structureAcetylcholinesteraseP21836Mus musculusPredicted (SEA)591.81
Diacylglycerol acyltransferase/mycolyltransferase Ag85C structureClick to view 3D structureDiacylglycerol acyltransferase/mycolyltransferase Ag85CP9WQN9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)20.0851
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)5.2159
Click to view 3D structureGlutamine synthetase, chloroplasticP25462Zea maysPredicted (SEA)9.18621
Click to view 3D structureCalpain-2 catalytic subunitP43367Sus scrofaPredicted (SEA)1264.27
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)4284.12
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)3859.45
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)3490.91
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)2624.14
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)5976.33
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)5320.06
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)3757.78
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)5855.97
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)4089.42
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)2586.7
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)6745.71
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)6582.15
Click to view 3D structurePhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2Q6P549Mus musculusPredicted (SEA)3.42537
Type II inositol 1,4,5-trisphosphate 5-phosphatase structureClick to view 3D structureType II inositol 1,4,5-trisphosphate 5-phosphataseP32019HumansPredicted (SEA)3.42537
Click to view 3D structureChloroquine resistance transporterQ9N623Plasmodium falciparumPredicted (SEA)170.023
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)6806.44
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available