[4-(trifluoromethoxy)phenyl]thiourea (CED0047595)

Record Information

Version

1.0

Creation Date

2026-08-25 00:36:45 UTC

Update Date

2026-08-25 00:36:45 UTC

SynCED ID

CED0047595

Secondary Accession Numbers

CHEM257366

Identification

Common Name

[4-(trifluoromethoxy)phenyl]thiourea

Class

Small Molecule

Description

[4-(trifluoromethoxy)phenyl]thiourea belongs to the n-phenylthioureas, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C8H7F3N2OS and an average molecular weight of 236.22 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₇F₃N₂OS

Average Molecular Mass

236.220 g/mol

Monoisotopic Mass

236.023 g/mol

CAS Registry Number

142229-74-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)

InChI Key

UCOXNOVULREFCO-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
216.0 Log mg/kg [120:380]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	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	Bifunctional epoxide hydrolase 2	P34913	Humans	Predicted (SEA)	Prediction Confidence Score 0.393 Applicability Domain 0.417 Statistical Significance 0.0019 Supporting Reference Compounds 93 E-value 14.48
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34914	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.391 Applicability Domain 0.417 Statistical Significance 7.20e-04 Supporting Reference Compounds 29 E-value 5.60514
Click to view 3D structure	RAF proto-oncogene serine/threonine-protein kinase	P04049	Humans	Predicted (SEA)	Prediction Confidence Score 0.37 Applicability Domain 0.392 Statistical Significance 0.0112 Supporting Reference Compounds 263 E-value 87.5025
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.368 Applicability Domain 0.385 Statistical Significance 0.0038 Supporting Reference Compounds 106 E-value 29.2713
Click to view 3D structure	Serum paraoxonase/arylesterase 2	Q15165	Humans	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.385 Statistical Significance 3.10e-04 Supporting Reference Compounds 2 E-value 2.41333
Click to view 3D structure	Serum paraoxonase/lactonase 3	Q15166	Humans	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.385 Statistical Significance 3.10e-04 Supporting Reference Compounds 2 E-value 2.41333
Click to view 3D structure	Epoxide hydrolase 1	P07099	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.417 Statistical Significance 0.0022 Supporting Reference Compounds 18 E-value 16.8933
Click to view 3D structure	P2Y purinoceptor 1	P47900	Humans	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 0.351 Statistical Significance 0.006 Supporting Reference Compounds 42 E-value 46.7095
Click to view 3D structure	Arylacetamide deacetylase	P22760	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.385 Statistical Significance 2.90e-04 Supporting Reference Compounds 3 E-value 2.25763
Click to view 3D structure	Mixed lineage kinase domain-like protein	Q9D2Y4	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.29 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.0072
Click to view 3D structure	Acrosin	P10323	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.333 Statistical Significance 8.30e-04 Supporting Reference Compounds 3 E-value 6.46149
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.308 Statistical Significance 0.2264 Supporting Reference Compounds 1498 E-value 1762.74
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P80299	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.385 Statistical Significance 0.0039 Supporting Reference Compounds 29 E-value 30.5947
Click to view 3D structure	Serine protease 1	P07477	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.326 Statistical Significance 0.0248 Supporting Reference Compounds 112 E-value 192.988
Click to view 3D structure	Interleukin-18	Q14116	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.279 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.3427
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.366 Statistical Significance 0.0657 Supporting Reference Compounds 331 E-value 511.625
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.323 Statistical Significance 0.2529 Supporting Reference Compounds 1660 E-value 1968.5
Click to view 3D structure	Sodium channel protein type 10 subunit alpha	Q9Y5Y9	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.34 Statistical Significance 0.0085 Supporting Reference Compounds 38 E-value 66.5611
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.314 Statistical Significance 0.1195 Supporting Reference Compounds 562 E-value 930.376
Click to view 3D structure	Plasminogen activator inhibitor 1	P20961	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.271 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.3186
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.385 Statistical Significance 0.0022 Supporting Reference Compounds 40 E-value 17.5161
Click to view 3D structure	Hydrolase, alpha/beta hydrolase fold family	O69638	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.267 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 1 E-value 11.2103
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.385 Statistical Significance 0.0079 Supporting Reference Compounds 55 E-value 61.6566
Click to view 3D structure	Sodium channel protein type 10 subunit alpha	Q62968	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.34 Statistical Significance 0.0047 Supporting Reference Compounds 14 E-value 36.3556
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.292 Low confidence Statistical Significance 0.2366 Supporting Reference Compounds 793 E-value 1842.3