[2-(1,3-dithiolan-2-yl)phenyl] n,n-dimethylcarbamate (CED0236252)

Record Information
Version1.0
Creation Date2026-08-27 20:00:33 UTC
Update Date2026-08-27 20:00:33 UTC
Accession NumberCHEM280266
Identification
Common Name[2-(1,3-dithiolan-2-yl)phenyl] n,n-dimethylcarbamate
ClassSmall Molecule
Description
[2-(1,3-dithiolan-2-yl)phenyl] n,n-dimethylcarbamate belongs to the phenoxy compounds, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids. This compound has the formula C12H15NO2S2 and an average molecular weight of 269.40 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC12H15NO2S2
Average Molecular MassNot Available
Monoisotopic Mass269.054 g/mol
CAS Registry Number21709-44-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCN(C)C(=O)OC1=CC=CC=C1C2SCCS2
InChI IdentifierInChI=1S/C12H15NO2S2/c1-13(2)12(14)15-10-6-4-3-5-9(10)11-16-7-8-17-11/h3-6,11H,7-8H2,1-2H3
InChI KeyGZVHRGJOULANNQ-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
47.0Log mg/kg[30:83]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
596AcaricidesAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
679Phosphatic FertilisersAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)122.145
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)113.426
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)29.427
Click to view 3D structureButyrylcholinesteraseQ9N1N9Equus caballusPredicted (SEA)46.7095
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)261.963
Click to view 3D structureAcetylcholinesteraseP37136Rattus norvegicusPredicted (SEA)135.224
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)420.853
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)477.527
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)606.445
Transcription factor EB structureClick to view 3D structureTranscription factor EBP19484HumansPredicted (SEA)32.7745
Click to view 3D structureButyrylcholinesteraseQ9JKC1Rattus norvegicusPredicted (SEA)115.139
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)1115.73
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP21836Mus musculusPredicted (SEA)253.866
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)289.288
Click to view 3D structureAcetylcholinesteraseP23795Bos taurusPredicted (SEA)91.3171
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)4054.15
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)885.691
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)3780.51
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)241.722
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)1997.46
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)2747.92
Metabotropic glutamate receptor 3 structureClick to view 3D structureMetabotropic glutamate receptor 3P31422Rattus norvegicusPredicted (SEA)88.4367
Metabotropic glutamate receptor 8 structureClick to view 3D structureMetabotropic glutamate receptor 8O00222HumansPredicted (SEA)59.7882
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)2070.56
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)2747.53
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available