3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole (CED0281769)

Record Information

Version

1.0

Creation Date

2026-08-30 11:59:27 UTC

Update Date

2026-08-30 11:59:27 UTC

SynCED ID

CED0281769

Secondary Accession Numbers

CHEM327124

Identification

Common Name

3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole

Class

Small Molecule

Description

3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole is a chemical compound with the formula C22H23N2S2+ and an average molecular weight of 379.60 g/mol. This substance is found in or released from one recorded source: Electrical & Electronic Equipment (Radio Transmission Systems).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₂H₂₃N₂S₂+

Average Molecular Mass

Not Available

Monoisotopic Mass

379.130 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CC)C

InChI Identifier

InChI=1S/C22H23N2S2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1

InChI Key

DGBHUSPLAMIWPQ-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
937.0 Log mg/kg [530:1700]	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
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
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	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

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	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	Prediction Confidence Score 0.529 Applicability Domain 0.98 Statistical Significance 7.00e-05 Supporting Reference Compounds 104 E-value 0.544945
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.499 Applicability Domain 0.98 Statistical Significance 1.50e-04 Supporting Reference Compounds 205 E-value 1.16774
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.499 Applicability Domain 0.98 Statistical Significance 2.70e-04 Supporting Reference Compounds 425 E-value 2.10193
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.463 Applicability Domain 0.98 Statistical Significance 8.00e-05 Supporting Reference Compounds 226 E-value 0.622794
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.463 Applicability Domain 0.98 Statistical Significance 8.00e-05 Supporting Reference Compounds 227 E-value 0.622794
Click to view 3D structure	G-protein coupled receptor 35	Q9HC97	Humans	Predicted (SEA)	Prediction Confidence Score 0.376 Applicability Domain 0.98 Statistical Significance 4.40e-04 Supporting Reference Compounds 115 E-value 3.42537
Click to view 3D structure	Phospholipase A2	P04054	Humans	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.98 Statistical Significance 2.80e-04 Supporting Reference Compounds 70 E-value 2.17978
Click to view 3D structure	Cysteine protease ATG4B	Q9Y4P1	Humans	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 0.98 Statistical Significance 5.50e-04 Supporting Reference Compounds 80 E-value 4.28171
Click to view 3D structure	Catenin beta-1	P35222	Humans	Predicted (SEA)	Prediction Confidence Score 0.313 Applicability Domain 0.644 Statistical Significance 3.00e-05 Supporting Reference Compounds 17 E-value 0.233548
Click to view 3D structure	Beta-arrestin-1	P49407	Humans	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.98 Statistical Significance 1.00e-05 Supporting Reference Compounds 16 E-value 0.0778492
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.359 Statistical Significance 0.1515 Supporting Reference Compounds 967 E-value 1179.42
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.283 Low confidence Statistical Significance 0.1433 Supporting Reference Compounds 823 E-value 1115.66
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.283 Low confidence Statistical Significance 0.1407 Supporting Reference Compounds 861 E-value 1095.49
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.283 Low confidence Statistical Significance 0.163 Supporting Reference Compounds 955 E-value 1268.86
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.283 Low confidence Statistical Significance 0.1157 Supporting Reference Compounds 686 E-value 900.871
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.283 Low confidence Statistical Significance 0.106 Supporting Reference Compounds 507 E-value 824.89
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.283 Low confidence Statistical Significance 0.0737 Supporting Reference Compounds 385 E-value 573.593
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.283 Low confidence Statistical Significance 0.0504 Supporting Reference Compounds 266 E-value 392.36
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.283 Low confidence Statistical Significance 0.0692 Supporting Reference Compounds 373 E-value 539.106
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.283 Low confidence Statistical Significance 0.056 Supporting Reference Compounds 310 E-value 435.8
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.283 Low confidence Statistical Significance 0.0542 Supporting Reference Compounds 297 E-value 421.631
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.359 Statistical Significance 0.215 Supporting Reference Compounds 906 E-value 1673.45
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.283 Low confidence Statistical Significance 0.0971 Supporting Reference Compounds 536 E-value 755.605
Click to view 3D structure	Alpha-1D adrenergic receptor	P25100	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.283 Low confidence Statistical Significance 0.0558 Supporting Reference Compounds 258 E-value 434.71
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.283 Low confidence Statistical Significance 0.1405 Supporting Reference Compounds 562 E-value 1093.55