3-Thenoyl chloride (CED0189776)

Record Information

Version

1.0

Creation Date

2026-04-05 03:06:26 UTC

Update Date

2026-08-22 22:08:54 UTC

SynCED ID

CED0189776

Secondary Accession Numbers

CHEM090863

Identification

Common Name

3-Thenoyl chloride

Class

Small Molecule

Description

3-Thenoyl chloride is an organic compound with the formula C5H3ClOS and an average molecular weight of 146.59 g/mol. 3-Thenoyl chloride belongs to the thiophene carboxylic acids and derivatives, a subclass of thiophenes within the organic compounds. It is classified as an organoheterocyclic compound. This substance has been identified as being found in or released from one recorded source: electrical and electronic equipment, specifically electric hearing aids.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₃ClOS

Average Molecular Mass

146.590 g/mol

Monoisotopic Mass

145.959 g/mol

CAS Registry Number

41507-35-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

ClC(=O)C1=CSC=C1

InChI Identifier

InChI=1/C5H3ClOS/c6-5(7)4-1-2-8-3-4/h1-3H

InChI Key

QTWBEVAYYDZLQL-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
428.0 Log mg/kg [240:760]	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
CEDs000516	Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.	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
CEDs000581	Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.	Industrial manufacturing & chemical processing	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
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

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	C5a anaphylatoxin chemotactic receptor 1	P97520	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.319 Applicability Domain 0.319 Statistical Significance 1.60e-04 Supporting Reference Compounds 1 E-value 1.24559
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.625 Statistical Significance 0.1608 Supporting Reference Compounds 1130 E-value 1251.5
Click to view 3D structure	D-amino-acid oxidase	P14920	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.625 Statistical Significance 0.0012 Supporting Reference Compounds 32 E-value 9.18621
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.625 Statistical Significance 0.2337 Supporting Reference Compounds 707 E-value 1819.41
Click to view 3D structure	Kynurenine 3-monooxygenase	P38169	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.225 Low confidence Statistical Significance 0.0042 Supporting Reference Compounds 1 E-value 32.4631
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.308 Statistical Significance 0.4999 Supporting Reference Compounds 553 E-value 3892.07
Click to view 3D structure	Beta-lactamase	Q44079	Aeromonas hydrophila	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.235 Low confidence Statistical Significance 0.0062 Supporting Reference Compounds 2 E-value 47.9551
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.241 Low confidence Statistical Significance 0.2858 Supporting Reference Compounds 332 E-value 2224.7
Click to view 3D structure	Protein mono-ADP-ribosyltransferase PARP10	Q53GL7	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.25 Low confidence Statistical Significance 0.0804 Supporting Reference Compounds 52 E-value 625.674
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.241 Low confidence Statistical Significance 0.3449 Supporting Reference Compounds 372 E-value 2684.79
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.241 Low confidence Statistical Significance 0.4037 Supporting Reference Compounds 472 E-value 3142.77
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.241 Low confidence Statistical Significance 0.3524 Supporting Reference Compounds 407 E-value 2743.41
Click to view 3D structure	Inhibitor of nuclear factor kappa-B kinase subunit beta	O14920	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.308 Statistical Significance 0.5325 Supporting Reference Compounds 389 E-value 4145.7
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.241 Low confidence Statistical Significance 0.1609 Supporting Reference Compounds 151 E-value 1252.59
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.246 Low confidence Statistical Significance 0.894 Supporting Reference Compounds 1538 E-value 6959.88
Click to view 3D structure	Succinate-semialdehyde dehydrogenase, mitochondrial	P51649	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.212 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.732
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.241 Low confidence Statistical Significance 0.2972 Supporting Reference Compounds 242 E-value 2313.68
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.241 Low confidence Statistical Significance 0.2251 Supporting Reference Compounds 172 E-value 1752.31
Click to view 3D structure	Protein mono-ADP-ribosyltransferase PARP15	Q460N3	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.25 Low confidence Statistical Significance 0.0562 Supporting Reference Compounds 35 E-value 437.201
Click to view 3D structure	Protein mono-ADP-ribosyltransferase PARP14	Q460N5	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.25 Low confidence Statistical Significance 0.0794 Supporting Reference Compounds 43 E-value 618.201
Click to view 3D structure	Liver carboxylesterase 1	P12337	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.259 Low confidence Statistical Significance 0.0043 Supporting Reference Compounds 9 E-value 33.6309
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.259 Low confidence Statistical Significance 0.0356 Supporting Reference Compounds 40 E-value 277.532
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.241 Low confidence Statistical Significance 0.2776 Supporting Reference Compounds 193 E-value 2160.94
Click to view 3D structure	Carbonic anhydrase	Q2PCB5	Dicentrarchus labrax	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.241 Low confidence Statistical Significance 0.006 Supporting Reference Compounds 9 E-value 46.7095
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.235 Low confidence Statistical Significance 0.8012 Supporting Reference Compounds 763 E-value 6237.44