3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole (CED0277053)

Record Information

Version

1.0

Creation Date

2026-08-30 04:43:32 UTC

Update Date

2026-08-30 04:43:32 UTC

SynCED ID

CED0277053

Secondary Accession Numbers

CHEM322327

Identification

Common Name

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

Class

Small Molecule

Description

3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole is a chemical compound with the formula C21H21N2S2+ and an average molecular weight of 365.50 g/mol. This substance has been identified in or released from two recorded sources, specifically electrical and electronic equipment, including selectors and fixed capacitors and their manufacture.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₂₁N₂S₂+

Average Molecular Mass

Not Available

Monoisotopic Mass

365.115 g/mol

CAS Registry Number

18403-49-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

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

InChI Identifier

InChI=1S/C21H21N2S2/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21/h5-15H,3-4H2,1-2H3/q+1

InChI Key

JGLWGLKNDHZFAP-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
793.0 Log mg/kg [450:1400]	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
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000532	Selectors?Selectors are components used in various electronic devices to control the flow of electrical signals.	Electrical & Electronic Equipment	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
CEDs000615	Eye 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 & 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
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	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	Prediction Confidence Score 0.596 Applicability Domain 0.979 Statistical Significance 4.00e-05 Supporting Reference Compounds 104 E-value 0.311397
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.518 Applicability Domain 0.979 Statistical Significance 2.10e-04 Supporting Reference Compounds 425 E-value 1.63483
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.471 Applicability Domain 0.9 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 0.471 Applicability Domain 0.9 Statistical Significance 8.00e-05 Supporting Reference Compounds 227 E-value 0.622794
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.446 Applicability Domain 0.667 Statistical Significance 3.60e-04 Supporting Reference Compounds 205 E-value 2.80257
Click to view 3D structure	Catenin beta-1	P35222	Humans	Predicted (SEA)	Prediction Confidence Score 0.399 Applicability Domain 0.9 Statistical Significance 2.00e-05 Supporting Reference Compounds 17 E-value 0.155698
Click to view 3D structure	Intestinal-type alkaline phosphatase	P24822	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.335 Applicability Domain 0.979 Statistical Significance 6.60e-04 Supporting Reference Compounds 58 E-value 5.13805
Click to view 3D structure	Amyloid-beta precursor protein	P05067	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.979 Statistical Significance 0.0078 Supporting Reference Compounds 109 E-value 60.8781
Click to view 3D structure	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Q9BHT9	Plasmodium berghei	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.9 Statistical Significance 0.0018 Supporting Reference Compounds 105 E-value 13.7793
Click to view 3D structure	G-protein coupled receptor 35	Q9HC97	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.667 Statistical Significance 0.0045 Supporting Reference Compounds 115 E-value 35.11
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.293 Low confidence Statistical Significance 0.1029 Supporting Reference Compounds 507 E-value 801.146
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.293 Low confidence Statistical Significance 0.1456 Supporting Reference Compounds 823 E-value 1133.56
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.293 Low confidence Statistical Significance 0.1431 Supporting Reference Compounds 861 E-value 1113.87
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.293 Low confidence Statistical Significance 0.1654 Supporting Reference Compounds 955 E-value 1288.02
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.293 Low confidence Statistical Significance 0.0715 Supporting Reference Compounds 385 E-value 556.778
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.293 Low confidence Statistical Significance 0.0487 Supporting Reference Compounds 266 E-value 379.359
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.293 Low confidence Statistical Significance 0.0672 Supporting Reference Compounds 373 E-value 523.458
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.293 Low confidence Statistical Significance 0.0541 Supporting Reference Compounds 310 E-value 420.931
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.293 Low confidence Statistical Significance 0.1178 Supporting Reference Compounds 686 E-value 917.297
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.293 Low confidence Statistical Significance 0.0522 Supporting Reference Compounds 297 E-value 406.684
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.293 Low confidence Statistical Significance 0.0948 Supporting Reference Compounds 536 E-value 737.777
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.293 Low confidence Statistical Significance 0.1248 Supporting Reference Compounds 562 E-value 971.636
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.293 Low confidence Statistical Significance 0.0634 Supporting Reference Compounds 340 E-value 493.875
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.293 Low confidence Statistical Significance 0.0913 Supporting Reference Compounds 487 E-value 711.153
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.293 Low confidence Statistical Significance 0.0831 Supporting Reference Compounds 451 E-value 647.083