[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium (CED0304249)

Record Information

Version

1.0

Creation Date

2026-08-31 21:12:18 UTC

Update Date

2026-08-31 21:12:18 UTC

SynCED ID

CED0304249

Secondary Accession Numbers

CHEM349860

Identification

Common Name

[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium

Class

Small Molecule

Description

[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium is a chemical compound with the formula C36H28S3+2. With an average molecular weight of 556.80 g/mol, [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₆H₂₈S₃+₂

Average Molecular Mass

Not Available

Monoisotopic Mass

556.135 g/mol

CAS Registry Number

74227-34-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)SC4=CC=C(C=C4)[S+](C5=CC=CC=C5)C6=CC=CC=C6

InChI Identifier

InChI=1S/C36H28S3/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H/q+2

InChI Key

PFHLXMMCWCWAMA-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
2496.0 Log mg/kg [1400:4400]	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
CEDs000511	Conductors 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 Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000561	Perfumes 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 products	PubChem
CEDs000634	Buckles?Buckles, commonly used as fasteners in clothing, accessories, and furniture, can be a source of synthetic chemical contamination due to the materials and coatings employed in their production.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	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
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	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
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	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	Pyruvate kinase	Q27686	Leishmania mexicana	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.262 Low confidence Statistical Significance 5.80e-04 Supporting Reference Compounds 1 E-value 4.51525
Click to view 3D structure	Aldehyde dehydrogenase 1A1	P51647	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 7.30e-04 Supporting Reference Compounds 1 E-value 5.68299
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.25 Low confidence Statistical Significance 0.3643 Supporting Reference Compounds 472 E-value 2835.97
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.25 Low confidence Statistical Significance 0.166 Supporting Reference Compounds 193 E-value 1292.14
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.25 Low confidence Statistical Significance 0.347 Supporting Reference Compounds 332 E-value 2701.52
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.222 Low confidence Statistical Significance 0.1843 Supporting Reference Compounds 151 E-value 1434.84
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.233 Low confidence Statistical Significance 0.8688 Supporting Reference Compounds 1130 E-value 6763.46
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.222 Low confidence Statistical Significance 0.4252 Supporting Reference Compounds 407 E-value 3309.84
Click to view 3D structure	Nicotinate phosphoribosyltransferase	Q6XQN6	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.222 Low confidence Statistical Significance 0.0225 Supporting Reference Compounds 12 E-value 175.239
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.25 Low confidence Statistical Significance 0.4352 Supporting Reference Compounds 372 E-value 3387.84
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.222 Low confidence Statistical Significance 0.3521 Supporting Reference Compounds 242 E-value 2741.23
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.216 Low confidence Statistical Significance 0.8666 Supporting Reference Compounds 1157 E-value 6746.65
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.222 Low confidence Statistical Significance 0.898 Supporting Reference Compounds 825 E-value 6990.78
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.239 Low confidence Statistical Significance 0.6234 Supporting Reference Compounds 425 E-value 4853.35
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.231 Low confidence Statistical Significance 0.0605 Supporting Reference Compounds 47 E-value 471.299
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.222 Low confidence Statistical Significance 0.2843 Supporting Reference Compounds 108 E-value 2213.56
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.222 Low confidence Statistical Significance 0.9576 Supporting Reference Compounds 1538 E-value 7454.69
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.207 Low confidence Statistical Significance 0.2339 Supporting Reference Compounds 63 E-value 1820.74
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.222 Low confidence Statistical Significance 0.08 Supporting Reference Compounds 68 E-value 622.794
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.231 Low confidence Statistical Significance 0.5114 Supporting Reference Compounds 201 E-value 3980.98
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q07422	Toxoplasma gondii	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.213 Low confidence Statistical Significance 0.1494 Supporting Reference Compounds 89 E-value 1162.91
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.222 Low confidence Statistical Significance 0.9137 Supporting Reference Compounds 793 E-value 7112.77
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.222 Low confidence Statistical Significance 0.9509 Supporting Reference Compounds 1245 E-value 7402.53
Click to view 3D structure	Lignostilbene alpha, beta-dioxygenase	O87171	Sphingomonas paucimobilis	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 0.0069 Supporting Reference Compounds 1 E-value 53.716
Click to view 3D structure	Carbonic anhydrase 13	Q8N1Q1	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.217 Low confidence Statistical Significance 0.2576 Supporting Reference Compounds 92 E-value 2005.63