(4-methoxyphenyl)-diphenylsulfanium (CED0267258)

Record Information
Version1.0
Creation Date2026-08-29 14:12:17 UTC
Update Date2026-08-29 14:12:17 UTC
SynCED IDCED0267258
Secondary Accession Numbers
  • CHEM312312
Identification
Common Name(4-methoxyphenyl)-diphenylsulfanium
ClassSmall Molecule
Description
(4-methoxyphenyl)-diphenylsulfanium is a chemical compound with the formula C19H17OS+. It has an average molecular weight of 293.40 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H17OS+
Average Molecular MassNot Available
Monoisotopic Mass293.100 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3
InChI IdentifierInChI=1S/C19H17OS/c1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3/q+1
InChI KeyCVBASHMCALKFME-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1157.0 Log mg/kg [650:2100]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 EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsPubChem
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 EquipmentPubChem
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 productsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
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 processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

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)
Prediction Confidence Score
0.342
Applicability Domain
0.379
Statistical Significance
0.0194
Supporting Reference Compounds
472
E-value
151.417
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.375
Statistical Significance
9.20e-04
Supporting Reference Compounds
56
E-value
7.16213
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.375
Statistical Significance
0.0041
Supporting Reference Compounds
104
E-value
32.3074
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.378
Statistical Significance
0.0228
Supporting Reference Compounds
315
E-value
177.185
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.378
Statistical Significance
0.0061
Supporting Reference Compounds
88
E-value
47.6437
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.359
Statistical Significance
0.0071
Supporting Reference Compounds
118
E-value
54.9616
Nuclear factor erythroid 2-related factor 2 structureClick to view 3D structureNuclear factor erythroid 2-related factor 2Q16236HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.378
Statistical Significance
0.0019
Supporting Reference Compounds
19
E-value
14.7135
E3 ubiquitin-protein ligase RNF4 structureClick to view 3D structureE3 ubiquitin-protein ligase RNF4P78317HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.311
Statistical Significance
0.0013
Supporting Reference Compounds
1
E-value
9.9647
Luciferin 4-monooxygenase structureClick to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.325
Statistical Significance
0.0074
Supporting Reference Compounds
114
E-value
57.9977
Inward rectifier potassium channel 2 structureClick to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.308
Statistical Significance
0.0023
Supporting Reference Compounds
1
E-value
18.2946
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.355
Statistical Significance
0.033
Supporting Reference Compounds
407
E-value
256.902
Click to view 3D structureAryl hydrocarbon receptorO02747Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.344
Statistical Significance
9.70e-04
Supporting Reference Compounds
7
E-value
7.55137
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.368
Statistical Significance
0.0069
Supporting Reference Compounds
57
E-value
53.5603
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.344
Statistical Significance
0.0804
Supporting Reference Compounds
793
E-value
625.908
Poly [ADP-ribose] polymerase tankyrase-1 structureClick to view 3D structurePoly [ADP-ribose] polymerase tankyrase-1O95271HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.359
Statistical Significance
0.008
Supporting Reference Compounds
94
E-value
62.2015
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.344
Statistical Significance
0.0195
Supporting Reference Compounds
201
E-value
152.117
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.36
Statistical Significance
0.0441
Supporting Reference Compounds
372
E-value
343.549
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.316
Statistical Significance
0.09
Supporting Reference Compounds
553
E-value
700.954
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.344
Statistical Significance
0.0096
Supporting Reference Compounds
106
E-value
74.9688
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.344
Statistical Significance
0.0079
Supporting Reference Compounds
77
E-value
61.8901
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.35
Statistical Significance
0.0456
Supporting Reference Compounds
229
E-value
355.382
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.3
Statistical Significance
0.0142
Supporting Reference Compounds
136
E-value
110.546
Transcription factor p65 structureClick to view 3D structureTranscription factor p65Q04206HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.361
Statistical Significance
0.0016
Supporting Reference Compounds
27
E-value
12.6894
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.359
Statistical Significance
0.0175
Supporting Reference Compounds
125
E-value
136.314
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.368
Statistical Significance
0.008
Supporting Reference Compounds
40
E-value
61.968
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available