MCPA-thioethyl (CED0042117)

Record Information

Version

1.0

Creation Date

2026-04-03 19:12:38 UTC

Update Date

2026-08-18 09:21:38 UTC

Accession Number

CHEM067434

Identification

Common Name

MCPA-thioethyl

Class

Small Molecule

Description

MCPA-thioethyl is an organic compound with the chemical formula C11H13Cl1O2S1 and an average molecular weight of 244.73 g/mol. MCPA-thioethyl belongs to the phenol ethers, a class of benzenoids within the organic compounds. This substance has been identified in or released from 23 recorded sources. Within the category of Electrical & Electronic Equipment, it is found in antennas, amplifiers, auxiliary devices, coils, and colour television systems, among 17 other sources. Additionally, it is associated with building and construction materials, specifically floors.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₁H₁₃Cl₁O₂S₁

Average Molecular Mass

244.730 g/mol

Monoisotopic Mass

244.032 g/mol

CAS Registry Number

25319-90-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCSC(=O)COC1=C(C)C=C(Cl)C=C1

InChI Identifier

InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3

InChI Key

AZFKQCNGMSSWDS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenol ethers

Sub Class

Not Available

Direct Parent

Phenol ethers

Alternative Parents

Substituents

Phenoxy compound
Phenol ether
Alkyl aryl ether
Toluene
Chlorobenzene
Halobenzene
Aryl chloride
Aryl halide
Monocyclic benzene moiety
Carbothioic s-ester
Thiocarboxylic acid ester
Sulfenyl compound
Carboxylic acid derivative
Thiocarboxylic acid or derivatives
Ether
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
Organosulfur compound
Organohalogen compound
Organochloride
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

aromatic ether (CHEBI:81929 )
Phenoxy herbicides (C18741 )

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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-01tc-8910000000-a462909928bd63b772e2	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0005-3970000000-92c1e159932ec5bdd165	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9810000000-4f45a6899d4af705c155	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9600000000-52ee6c7f7b9efdee3d33	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-2790000000-1ab9ea19f918b13bbabd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9100000000-b2ede4f65468f71042be	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0089-9000000000-0bbb8b141aa7d9c37e96	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
834.0	Log mg/kg	[470:1500]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
497	Floors	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
509	Colour Television Systems	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
526	Loudspeakers	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
528	Microphones	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
534	Still Video Cameras	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
620	Card Games	Recreation & sports surfaces	Not Available
622	Game Accessories	Recreation & sports surfaces	Not Available
627	Roulette Games	Recreation & sports surfaces	Not Available
630	Toys	Recreation & sports surfaces	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	Prostaglandin D2 receptor 2	Q9Y5Y4	Humans	Predicted (SEA)	10.3539
Click to view 3D structure	Prostaglandin D2 receptor	Q13258	Humans	Predicted (SEA)	14.9471
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	618.746
Click to view 3D structure	Sigma intracellular receptor 2	Q8VD00	Mus musculus	Predicted (SEA)	2.02408
Click to view 3D structure	Thromboxane A2 receptor	P21731	Humans	Predicted (SEA)	35.4992
Click to view 3D structure	Prostaglandin D2 receptor 2	Q9Z2J6	Mus musculus	Predicted (SEA)	3.19182
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P34995	Humans	Predicted (SEA)	43.0506
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	1762.35
Click to view 3D structure	HTH-type transcriptional regulator EthR	A0R666	Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)	Predicted (SEA)	5.76084
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	890.05
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	889.116
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	P43116	Humans	Predicted (SEA)	45.931
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	2005.71
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	1436.4
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	121.6
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	98.3236
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	P35396	Mus musculus	Predicted (SEA)	17.2047
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	270.604
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	211.828
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P43115	Humans	Predicted (SEA)	77.3043
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	P23204	Mus musculus	Predicted (SEA)	43.6734
Click to view 3D structure	Vitamin D3 receptor	P11473	Humans	Predicted (SEA)	55.3508
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	421.164
Click to view 3D structure	Free fatty acid receptor 1	Q76JV1	Macaca fascicularis	Predicted (SEA)	20.0851
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	1098.61