Dithiodi-2,1-ethanediyl bismethacrylate (CED0178441)

Record Information

Version

1.0

Creation Date

2026-04-05 02:57:38 UTC

Update Date

2026-04-05 02:57:38 UTC

SynCED ID

CED0178441

Secondary Accession Numbers

CHEM090583

Identification

Common Name

Dithiodi-2,1-ethanediyl bismethacrylate

Class

Small Molecule

Description

Dithiodi-2,1-ethanediyl bismethacrylate is an organic compound with the chemical formula C12H18O4S2 and an average molecular weight of 290.39 g/mol. Dithiodi-2,1-ethanediyl bismethacrylate belongs to the dicarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been identified in or released from one recorded source: electrical and electronic equipment contacts.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₈O₄S₂

Average Molecular Mass

290.390 g/mol

Monoisotopic Mass

290.065 g/mol

CAS Registry Number

36837-97-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=C)C(=O)OCCSSCCOC(=O)C(C)=C

InChI Identifier

InChI=1/C12H18O4S2/c1-9(2)11(13)15-5-7-17-18-8-6-16-12(14)10(3)4/h1,3,5-8H2,2,4H3

InChI Key

CGDNFXSLPGLMHK-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
2314.0 Log mg/kg [1300:4100]	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
CEDs000512	Contacts?Contacts in electrical and electronic equipment are components that facilitate the flow of electricity between circuits.	Electrical & Electronic Equipment	PubChem
CEDs000517	Electric 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 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
CEDs000520	Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.	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
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	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
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
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

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	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.313 Statistical Significance 0.1633 Supporting Reference Compounds 385 E-value 1271.67
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.313 Statistical Significance 0.1297 Supporting Reference Compounds 310 E-value 1009.7
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.313 Statistical Significance 0.1406 Supporting Reference Compounds 266 E-value 1094.4
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.281 Low confidence Statistical Significance 0.2858 Supporting Reference Compounds 297 E-value 2224.85
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.281 Low confidence Statistical Significance 0.4283 Supporting Reference Compounds 373 E-value 3334.05
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.216 Low confidence Statistical Significance 7.70e-04 Supporting Reference Compounds 2 E-value 5.99439
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.265 Low confidence Statistical Significance 0.2694 Supporting Reference Compounds 98 E-value 2097.26
Click to view 3D structure	Palmitoyltransferase ZDHHC7	Q9NXF8	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.191 Low confidence Statistical Significance 0.0052 Supporting Reference Compounds 1 E-value 40.1702
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.313 Statistical Significance 0.5881 Supporting Reference Compounds 128 E-value 4578.31
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.265 Low confidence Statistical Significance 0.4707 Supporting Reference Compounds 109 E-value 3664.28
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.179 Low confidence Statistical Significance 0.0858 Supporting Reference Compounds 20 E-value 668.258
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.175 Low confidence Statistical Significance 0.0076 Supporting Reference Compounds 2 E-value 58.9319
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.265 Low confidence Statistical Significance 0.4473 Supporting Reference Compounds 55 E-value 3482.04
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.265 Low confidence Statistical Significance 0.4542 Supporting Reference Compounds 38 E-value 3535.91
Click to view 3D structure	S-methylmethionine--homocysteine S-methyltransferase BHMT2	Q9H2M3	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.171 Low confidence Statistical Significance 0.0034 Supporting Reference Compounds 1 E-value 26.6244
Click to view 3D structure	Peptidyl-glycine alpha-amidating monooxygenase	P19021	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.17 Low confidence Statistical Significance 0.152 Supporting Reference Compounds 1 E-value 1183.23
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.179 Low confidence Statistical Significance 0.3016 Supporting Reference Compounds 55 E-value 2347.93
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.175 Low confidence Statistical Significance 0.3099 Supporting Reference Compounds 40 E-value 2412.24
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.176 Low confidence Statistical Significance 0.9696 Supporting Reference Compounds 562 E-value 7548.57
Click to view 3D structure	Putative inactive group IIC secretory phospholipase A2	Q5R387	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.0226 Supporting Reference Compounds 1 E-value 176.328
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.1275 Supporting Reference Compounds 1 E-value 992.733
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.173 Low confidence Statistical Significance 0.9443 Supporting Reference Compounds 256 E-value 7350.99
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.184 Low confidence Statistical Significance 0.7627 Supporting Reference Compounds 172 E-value 5937.87
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.173 Low confidence Statistical Significance 0.9834 Supporting Reference Compounds 823 E-value 7656.08
Click to view 3D structure	Equilibrative nucleoside transporter 2	O54699	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.16 Low confidence Statistical Significance 0.137 Supporting Reference Compounds 1 E-value 1066.61