Methoxymethanedithioic acid (CED0000069)

Record Information
Version1.0
Creation Date2026-08-31 14:59:13 UTC
Update Date2026-08-31 14:59:13 UTC
Accession NumberCHEM345991
Identification
Common NameMethoxymethanedithioic acid
ClassSmall Molecule
Description
Methoxymethanedithioic acid is a chemical compound with the formula C2H4OS2. It has an average molecular weight of 108.19 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC2H4OS2
Average Molecular MassNot Available
Monoisotopic Mass107.970 g/mol
CAS Registry Number2042-42-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC(=S)S
InChI IdentifierInChI=1S/C2H4OS2/c1-3-2(4)5/h1H3,(H,4,5)
InChI KeyYSTDSWVFMNLAHU-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
188.0Log mg/kg[100:330]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
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)2.25763
Click to view 3D structureHydrolase, alpha/beta hydrolase fold familyO69638Mycobacterium tuberculosisPredicted (SEA)347.441
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)6835.24
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)7129.2
Click to view 3D structureTyrosinaseO42713Agaricus bisporusPredicted (SEA)914.651
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)7030.1
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)6918.15
Click to view 3D structureSnake venom metalloproteinase neuwiedaseQ9I9R4Bothrops pauloensisPredicted (SEA)1059.06
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)7296.81
Click to view 3D structureCytochrome P450 2C23P24470Rattus norvegicusPredicted (SEA)73.7232
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)6161.77
Click to view 3D structureSterol carrier protein 2Q86PR3Aedes aegyptiPredicted (SEA)77.3821
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)6490.13
Click to view 3D structureCarbonic anhydrase 1Q9V396Drosophila melanogasterPredicted (SEA)5.83869
Click to view 3D structureCarbonic anhydrase 2, isoform AQ9VTU8Drosophila melanogasterPredicted (SEA)5.83869
Nuclear factor erythroid 2-related factor 2 structureClick to view 3D structureNuclear factor erythroid 2-related factor 2Q16236HumansPredicted (SEA)1655.31
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)7451.49
Fructose-1,6-bisphosphatase 1 structureClick to view 3D structureFructose-1,6-bisphosphatase 1P09467HumansPredicted (SEA)2517.41
Aldehyde dehydrogenase 1A1 structureClick to view 3D structureAldehyde dehydrogenase 1A1P00352HumansPredicted (SEA)5592.3
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)7382.75
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)7198.09
Click to view 3D structurePeptidoglycan-N-acetylglucosamine deacetylaseQ8DP63Streptococcus pneumoniae (strain ATCC BAA-255 / R6)Predicted (SEA)694.649
Histone-lysine N-methyltransferase EHMT2 structureClick to view 3D structureHistone-lysine N-methyltransferase EHMT2Q96KQ7HumansPredicted (SEA)6608.78
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available