(dimethylcarbamothioyltrisulfanyl) n,n-dimethylcarbamodithioate (CED0040935)

Record Information
Version1.0
Creation Date2026-08-23 06:04:45 UTC
Update Date2026-08-23 06:04:45 UTC
SynCED IDCED0040935
Secondary Accession Numbers
  • CHEM228312
Identification
Common Name(dimethylcarbamothioyltrisulfanyl) n,n-dimethylcarbamodithioate
ClassSmall Molecule
Description
(dimethylcarbamothioyltrisulfanyl) n,n-dimethylcarbamodithioate belongs to the sulfenyl compounds, a class of organosulfur compounds within the organic compounds. This compound has the formula C6H12N2S6 and an average molecular weight of 304.60 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H12N2S6
Average Molecular Mass304.600 g/mol
Monoisotopic Mass303.932 g/mol
CAS Registry Number97-91-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H12N2S6/c1-7(2)5(9)11-13-14-12-6(10)8(3)4/h1-4H3
InChI KeyVHSBTBDMKDUVKG-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
612.0 Log mg/kg [340:1100]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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentNot Available
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsNot Available
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsNot Available
CEDs000652Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.Textiles, leather & furnishingsNot Available
CEDs000672Light Than Air Aircraft?Light than air aircraft, such as dirigibles and airships, utilize lifting gases like helium or hydrogen for buoyancy.Aviation & AerospaceNot Available
Pathways
0 pathwaysPathway Source: PathBank

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)
Prediction Confidence Score
0.389
Applicability Domain
0.75
Statistical Significance
0.0013
Supporting Reference Compounds
76
E-value
10.0426
Fructose-1,6-bisphosphatase 1 structureClick to view 3D structureFructose-1,6-bisphosphatase 1P09467HumansPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.75
Statistical Significance
0.0034
Supporting Reference Compounds
28
E-value
26.3909
Click to view 3D structureCarbamate kinaseO97438Giardia intestinalisPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.348
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Aldehyde dehydrogenase 1A1 structureClick to view 3D structureAldehyde dehydrogenase 1A1P00352HumansPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.75
Statistical Significance
5.00e-04
Supporting Reference Compounds
31
E-value
3.89246
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.75
Statistical Significance
0.0103
Supporting Reference Compounds
215
E-value
80.4961
Aldehyde dehydrogenase, mitochondrial structureClick to view 3D structureAldehyde dehydrogenase, mitochondrialP05091HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.75
Statistical Significance
6.60e-04
Supporting Reference Compounds
24
E-value
5.13805
Histone-lysine N-methyltransferase EHMT2 structureClick to view 3D structureHistone-lysine N-methyltransferase EHMT2Q96KQ7HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.75
Statistical Significance
0.0092
Supporting Reference Compounds
52
E-value
72.0105
Gasdermin-D structureClick to view 3D structureGasdermin-DP57764HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.348
Statistical Significance
3.00e-05
Supporting Reference Compounds
2
E-value
0.233548
Gasdermin-D structureClick to view 3D structureGasdermin-DQ9D8T2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.348
Statistical Significance
3.00e-05
Supporting Reference Compounds
2
E-value
0.233548
Lysyl oxidase homolog 2 structureClick to view 3D structureLysyl oxidase homolog 2Q9Y4K0HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.75
Statistical Significance
0.0027
Supporting Reference Compounds
26
E-value
20.7079
Click to view 3D structureProtein-lysine 6-oxidaseP28300HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.75
Statistical Significance
6.40e-04
Supporting Reference Compounds
17
E-value
4.98235
Click to view 3D structureLysyl oxidase homolog 4Q96JB6HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.75
Statistical Significance
2.00e-05
Supporting Reference Compounds
5
E-value
0.155698
Histone-lysine N-methyltransferase EHMT1 structureClick to view 3D structureHistone-lysine N-methyltransferase EHMT1Q9H9B1HumansPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.75
Statistical Significance
0.011
Supporting Reference Compounds
26
E-value
85.712
Click to view 3D structureLysyl oxidase homolog 3P58215HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.75
Statistical Significance
6.30e-04
Supporting Reference Compounds
12
E-value
4.9045
D-3-phosphoglycerate dehydrogenase structureClick to view 3D structureD-3-phosphoglycerate dehydrogenaseO43175HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.348
Statistical Significance
3.10e-04
Supporting Reference Compounds
12
E-value
2.41333
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.75
Statistical Significance
0.6895
Supporting Reference Compounds
1022
E-value
5367.86
E3 ubiquitin-protein ligase Mdm2 structureClick to view 3D structureE3 ubiquitin-protein ligase Mdm2Q00987HumansPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.75
Statistical Significance
0.0843
Supporting Reference Compounds
50
E-value
656.035
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abK9N7C7Middle East respiratory syndrome-related coronavirus (isolate United Kingdom/H123990006/2012)Predicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.75
Statistical Significance
0.0255
Supporting Reference Compounds
48
E-value
198.593
Gamma-butyrobetaine dioxygenase structureClick to view 3D structureGamma-butyrobetaine dioxygenaseO75936HumansPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.75
Statistical Significance
0.1285
Supporting Reference Compounds
11
E-value
1000.36
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.348
Statistical Significance
0.993
Supporting Reference Compounds
1103
E-value
7730.27
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.348
Statistical Significance
0.9839
Supporting Reference Compounds
425
E-value
7659.35
Click to view 3D structure5-hydroxytryptamine receptor 1BP28564Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.147
Applicability Domain
0.348
Statistical Significance
0.9359
Supporting Reference Compounds
154
E-value
7285.75
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.146
Applicability Domain
0.348
Statistical Significance
0.9932
Supporting Reference Compounds
861
E-value
7731.75
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.146
Applicability Domain
0.348
Statistical Significance
0.9933
Supporting Reference Compounds
527
E-value
7732.92
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.145
Applicability Domain
0.348
Statistical Significance
0.9926
Supporting Reference Compounds
506
E-value
7727.24
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available