[2-(trifluoromethyl)phenyl]thiourea (CED0047665)

Record Information
Version1.0
Creation Date2026-08-25 00:37:12 UTC
Update Date2026-08-25 00:37:12 UTC
SynCED IDCED0047665
Secondary Accession Numbers
  • CHEM257371
Identification
Common Name[2-(trifluoromethyl)phenyl]thiourea
ClassSmall Molecule
Description
[2-(trifluoromethyl)phenyl]thiourea belongs to the n-phenylthioureas, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C8H7F3N2S and an average molecular weight of 220.22 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H7F3N2S
Average Molecular Mass220.220 g/mol
Monoisotopic Mass220.028 g/mol
CAS Registry Number1736-71-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H7F3N2S/c9-8(10,11)5-3-1-2-4-6(5)13-7(12)14/h1-4H,(H3,12,13,14)
InChI KeyFVXFFFHGYOYYQX-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
262.0 Log mg/kg [150:470]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000659Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.Textiles, leather & furnishingsPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.265 Low confidence
Statistical Significance
0.3913
Supporting Reference Compounds
1245
E-value
3046.47
Click to view 3D structureATP-dependent Clp protease proteolytic subunitQ5F914Neisseria gonorrhoeaePredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.259 Low confidence
Statistical Significance
6.10e-04
Supporting Reference Compounds
1
E-value
4.7488
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.343
Statistical Significance
0.1756
Supporting Reference Compounds
562
E-value
1366.88
Retinol-binding protein 4 structureClick to view 3D structureRetinol-binding protein 4P02753HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.267 Low confidence
Statistical Significance
0.0024
Supporting Reference Compounds
12
E-value
18.3724
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.26 Low confidence
Statistical Significance
0.5186
Supporting Reference Compounds
1538
E-value
4037.49
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.303
Statistical Significance
0.4356
Supporting Reference Compounds
1130
E-value
3391.27
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.267 Low confidence
Statistical Significance
0.3692
Supporting Reference Compounds
825
E-value
2873.96
Click to view 3D structureChaperone protein dnaKC3TRK2Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.245 Low confidence
Statistical Significance
0.0061
Supporting Reference Compounds
1
E-value
47.7994
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.273 Low confidence
Statistical Significance
0.3554
Supporting Reference Compounds
735
E-value
2766.92
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.273 Low confidence
Statistical Significance
0.4158
Supporting Reference Compounds
967
E-value
3237.13
Mitogen-activated protein kinase kinase kinase kinase 4 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase kinase 4O95819HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.273 Low confidence
Statistical Significance
0.3697
Supporting Reference Compounds
714
E-value
2878.01
Homeodomain-interacting protein kinase 2 structureClick to view 3D structureHomeodomain-interacting protein kinase 2Q9H2X6HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.273 Low confidence
Statistical Significance
0.2851
Supporting Reference Compounds
505
E-value
2219.87
Interleukin-1 receptor-associated kinase 4 structureClick to view 3D structureInterleukin-1 receptor-associated kinase 4Q9NWZ3HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.273 Low confidence
Statistical Significance
0.3495
Supporting Reference Compounds
682
E-value
2721.22
Cell division cycle 7-related protein kinase structureClick to view 3D structureCell division cycle 7-related protein kinaseO00311HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.273 Low confidence
Statistical Significance
0.2452
Supporting Reference Compounds
407
E-value
1908.94
Macrophage colony-stimulating factor 1 receptor structureClick to view 3D structureMacrophage colony-stimulating factor 1 receptorP07333HumansPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.273 Low confidence
Statistical Significance
0.4123
Supporting Reference Compounds
833
E-value
3209.41
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.273 Low confidence
Statistical Significance
0.4389
Supporting Reference Compounds
811
E-value
3416.8
Transient receptor potential cation channel subfamily A member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily A member 1O75762HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.277 Low confidence
Statistical Significance
0.0195
Supporting Reference Compounds
70
E-value
151.495
Protective antigen structureClick to view 3D structureProtective antigenP13423Bacillus anthracisPredicted (SEA)
Prediction Confidence Score
0.238
Applicability Domain
0.238 Low confidence
Statistical Significance
0.0137
Supporting Reference Compounds
1
E-value
106.887
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.294 Low confidence
Statistical Significance
0.3704
Supporting Reference Compounds
553
E-value
2883.46
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.273 Low confidence
Statistical Significance
0.4635
Supporting Reference Compounds
905
E-value
3608.62
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.295 Low confidence
Statistical Significance
0.1989
Supporting Reference Compounds
372
E-value
1548.27
Stearoyl-CoA desaturase structureClick to view 3D structureStearoyl-CoA desaturaseO00767HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.316
Statistical Significance
0.0071
Supporting Reference Compounds
16
E-value
55.2729
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.313
Statistical Significance
0.1471
Supporting Reference Compounds
226
E-value
1145.01
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.313
Statistical Significance
0.1473
Supporting Reference Compounds
227
E-value
1146.49
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.295 Low confidence
Statistical Significance
0.1862
Supporting Reference Compounds
332
E-value
1449.55
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available