Methoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane (CED0238818)

Record Information
Version1.0
Creation Date2026-08-27 23:21:20 UTC
Update Date2026-08-27 23:21:20 UTC
Accession NumberCHEM282924
Identification
Common NameMethoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane
ClassSmall Molecule
Description
Methoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane belongs to the phenylphosphonothioates, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C13H12NO4PS and an average molecular weight of 309.28 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H12NO4PS
Average Molecular MassNot Available
Monoisotopic Mass309.022 g/mol
CAS Registry Number71432-25-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI IdentifierInChI=1S/C13H12NO4PS/c1-17-19(20,13-5-3-2-4-6-13)18-12-9-7-11(8-10-12)14(15)16/h2-10H,1H3
InChI KeyKJRHXUWMPMFBHR-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
41.0Log mg/kg[20:74]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
596AcaricidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)101.593
Click to view 3D structurePatatin-like phospholipase domain-containing protein 6Q3TRM4Mus musculusPredicted (SEA)4.5931
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)15.7255
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)116.774
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)10.4318
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)3.73676
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)317.781
Click to view 3D structureMonoacylglycerol lipase ABHD6Q8R2Y0Mus musculusPredicted (SEA)8.25202
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)60.3331
Click to view 3D structureCarboxylesteraseB3TNN2Loxostege sticticalisPredicted (SEA)0.544945
Arylsulfatase structureClick to view 3D structureArylsulfataseP51691Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)Predicted (SEA)10.6653
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)200.617
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)334.596
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)71.9327
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)113.971
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)91.0057
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP21836Mus musculusPredicted (SEA)139.428
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)528.752
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)249.273
Ubiquitin-conjugating enzyme E2 B structureClick to view 3D structureUbiquitin-conjugating enzyme E2 BP63146HumansPredicted (SEA)17.1268
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)219.691
Click to view 3D structureNitric oxide synthase 3P70313Mus musculusPredicted (SEA)16.8154
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)354.214
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)232.069
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)200.072
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available