1,1-Dimethyl-2-thiourea (CED0146132)

Record Information
Version1.0
Creation Date2026-04-04 12:34:09 UTC
Update Date2026-08-22 13:48:59 UTC
Accession NumberCHEM074387
Identification
Common Name1,1-Dimethyl-2-thiourea
ClassSmall Molecule
Description
1,1-Dimethyl-2-thiourea belongs to the thioureas, a class of organosulfur compounds within the organic compounds. This compound has the chemical formula C3H8N2S1 and an average molecular weight of 104.17 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC3H8N2S1
Average Molecular Mass104.170 g/mol
Monoisotopic Mass104.041 g/mol
CAS Registry Number6972-05-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCN(C)C(N)=S
InChI IdentifierInChI=1S/C3H8N2S/c1-5(2)3(4)6/h1-2H3,(H2,4,6)
InChI KeyZQGWBPQBZHMUFG-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0a4l-9100000000-8f6e7ff7a3bc1a45252bNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
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
227.0Log mg/kg[130:400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
633Azo DyesTextiles, leather & furnishingsNot Available
635ButtonsTextiles, leather & furnishingsNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)330.781
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P48029HumansPredicted (SEA)1.08989
Gasdermin-D structureClick to view 3D structureGasdermin-DP57764HumansPredicted (SEA)0.467095
Click to view 3D structureGasdermin-DQ9D8T2Mus musculusPredicted (SEA)0.467095
Click to view 3D structureCarbamate kinaseO97438Giardia intestinalisPredicted (SEA)0.467095
Fructose-1,6-bisphosphatase 1 structureClick to view 3D structureFructose-1,6-bisphosphatase 1P09467HumansPredicted (SEA)158.267
Histone-lysine N-methyltransferase EHMT2 structureClick to view 3D structureHistone-lysine N-methyltransferase EHMT2Q96KQ7HumansPredicted (SEA)974.439
Aldehyde dehydrogenase 1A1 structureClick to view 3D structureAldehyde dehydrogenase 1A1P00352HumansPredicted (SEA)434.944
Click to view 3D structureUreaseP07374Canavalia ensiformisPredicted (SEA)54.4945
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)3168.23
Aldehyde dehydrogenase, mitochondrial structureClick to view 3D structureAldehyde dehydrogenase, mitochondrialP05091HumansPredicted (SEA)431.83
Lysyl oxidase homolog 2 structureClick to view 3D structureLysyl oxidase homolog 2Q9Y4K0HumansPredicted (SEA)1249.48
Click to view 3D structureProtein-lysine 6-oxidaseP28300HumansPredicted (SEA)455.418
Click to view 3D structureTyrosinaseO42713Agaricus bisporusPredicted (SEA)754.826
D-3-phosphoglycerate dehydrogenase structureClick to view 3D structureD-3-phosphoglycerate dehydrogenaseO43175HumansPredicted (SEA)758.719
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)6990.47
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)7217.25
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)7611.08
Click to view 3D structureCarbonic anhydrase 1Q9V396Drosophila melanogasterPredicted (SEA)3.58106
Click to view 3D structureCarbonic anhydrase 2, isoform AQ9VTU8Drosophila melanogasterPredicted (SEA)3.58106
Click to view 3D structureLysyl oxidase homolog 3P58215HumansPredicted (SEA)935.436
Click to view 3D structurePhotosystem II protein D1P06402Marchantia polymorphaPredicted (SEA)899.626
Click to view 3D structureLysyl oxidase homolog 4Q96JB6HumansPredicted (SEA)2.56902
Click to view 3D structureSterol carrier protein 2Q86PR3Aedes aegyptiPredicted (SEA)71.1542
Histone-lysine N-methyltransferase EHMT1 structureClick to view 3D structureHistone-lysine N-methyltransferase EHMT1Q9H9B1HumansPredicted (SEA)2925.65
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available