4-[2-[5,5-dimethyl-3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]ethenyl]-n,n-dimethylaniline (CED0297141)

Record Information
Version1.0
Creation Date2026-08-31 10:19:52 UTC
Update Date2026-08-31 10:19:52 UTC
Accession NumberCHEM342685
Identification
Common Name4-[2-[5,5-dimethyl-3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]ethenyl]-n,n-dimethylaniline
ClassSmall Molecule
Description
4-[2-[5,5-dimethyl-3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]ethenyl]-n,n-dimethylaniline is a chemical compound with the formula C27H31N2S+ and an average molecular weight of 415.60 g/mol. This substance is identified as being found in or released from one recorded source: Electrical & Electronic Equipment (Selectors).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC27H31N2S+
Average Molecular MassNot Available
Monoisotopic Mass415.221 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1(CC(=CC(=CC2=[N+](C3=CC=CC=C3S2)C)C1)C=CC4=CC=C(C=C4)N(C)C)C
InChI IdentifierInChI=1S/C27H31N2S/c1-27(2)18-21(11-10-20-12-14-23(15-13-20)28(3)4)16-22(19-27)17-26-29(5)24-8-6-7-9-25(24)30-26/h6-17H,18-19H2,1-5H3/q+1
InChI KeyWXNCERUTHXEANH-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
670.0Log mg/kg[380:1200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
532SelectorsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)106.342
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)134.991
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)78.0049
Insulin receptor structureClick to view 3D structureInsulin receptorP06213HumansPredicted (SEA)1798.63
Luciferin 4-monooxygenase structureClick to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)381.461
Synaptojanin-1 structureClick to view 3D structureSynaptojanin-1O43426HumansPredicted (SEA)1.32344
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)1028.86
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)1457.49
COUP transcription factor 2 structureClick to view 3D structureCOUP transcription factor 2P24468HumansPredicted (SEA)71.3877
G-protein coupled receptor 35 structureClick to view 3D structureG-protein coupled receptor 35Q9HC97HumansPredicted (SEA)1041.08
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)2155.02
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)2158.53
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)128.996
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)1584.47
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)2223.37
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)3797.17
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)3973.35
Catenin beta-1 structureClick to view 3D structureCatenin beta-1P35222HumansPredicted (SEA)48.9672
Microtubule-associated protein tau structureClick to view 3D structureMicrotubule-associated protein tauP10636HumansPredicted (SEA)646.771
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)3794.29
Click to view 3D structureGlutathione-S-transferaseQ26513Schistosoma japonicumPredicted (SEA)10.5096
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)6301.82
Click to view 3D structureVascular endothelial growth factor receptor 1P35969Mus musculusPredicted (SEA)326.033
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)6462.65
Click to view 3D structureVascular endothelial growth factor receptor 2P35918MousePredicted (SEA)1146.95
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available