2-[2-(diethylcarbamothioylsulfanyl)propanoylamino]acetic acid (CED0231144)

Record Information
Version1.0
Creation Date2026-08-26 18:59:01 UTC
Update Date2026-08-26 18:59:01 UTC
Accession NumberCHEM274969
Identification
Common Name2-[2-(diethylcarbamothioylsulfanyl)propanoylamino]acetic acid
ClassSmall Molecule
Description
2-[2-(diethylcarbamothioylsulfanyl)propanoylamino]acetic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C10H18N2O3S2 and an average molecular weight of 278.40 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H18N2O3S2
Average Molecular MassNot Available
Monoisotopic Mass278.076 g/mol
CAS Registry Number79541-66-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCN(CC)C(=S)SC(C)C(=O)NCC(=O)O
InChI IdentifierInChI=1S/C10H18N2O3S2/c1-4-12(5-2)10(16)17-7(3)9(15)11-6-8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChI KeyCSKUJBRPIRNLKC-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
2131.0Log mg/kg[1200:3800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Lysine-specific demethylase 5C structureClick to view 3D structureLysine-specific demethylase 5CP41229HumansPredicted (SEA)467.485
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)4885.97
Click to view 3D structureTumor necrosis factor receptor superfamily member 16Q9Z0W1Mus musculusPredicted (SEA)47.0209
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)1842.07
Click to view 3D structureCarbamate kinaseO97438Giardia intestinalisPredicted (SEA)0.155698
Gasdermin-D structureClick to view 3D structureGasdermin-DP57764HumansPredicted (SEA)0.233548
Gasdermin-D structureClick to view 3D structureGasdermin-DQ9D8T2Mus musculusPredicted (SEA)0.233548
Neprilysin structureClick to view 3D structureNeprilysinP08473HumansPredicted (SEA)251.297
Click to view 3D structureNeprilysinP07861Rattus norvegicusPredicted (SEA)279.634
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)473.713
Fructose-1,6-bisphosphatase 1 structureClick to view 3D structureFructose-1,6-bisphosphatase 1P09467HumansPredicted (SEA)111.091
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)2673.73
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)2628.11
Hydroxyacylglutathione hydrolase, mitochondrial structureClick to view 3D structureHydroxyacylglutathione hydrolase, mitochondrialQ16775HumansPredicted (SEA)11.4438
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)583.869
Lysine-specific demethylase 5A structureClick to view 3D structureLysine-specific demethylase 5AP29375HumansPredicted (SEA)245.225
Aldehyde dehydrogenase 1A1 structureClick to view 3D structureAldehyde dehydrogenase 1A1P00352HumansPredicted (SEA)118.642
Metallo-beta-lactamase type 2 structureClick to view 3D structureMetallo-beta-lactamase type 2C7C422Klebsiella pneumoniaePredicted (SEA)52.5482
Type-1 angiotensin II receptor structureClick to view 3D structureType-1 angiotensin II receptorP30556HumansPredicted (SEA)1419.58
Egl nine homolog 1 structureClick to view 3D structureEgl nine homolog 1Q9GZT9HumansPredicted (SEA)318.637
Neprilysin structureClick to view 3D structureNeprilysinP08049Oryctolagus cuniculusPredicted (SEA)547.047
Solute carrier family 15 member 1 structureClick to view 3D structureSolute carrier family 15 member 1P46059HumansPredicted (SEA)285.473
Click to view 3D structureGlyoxalase IP50107Saccharomyces cerevisiae S288cPredicted (SEA)24.7561
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)5058.56
Click to view 3D structureExcitatory amino acid transporter 3P51907Rattus norvegicusPredicted (SEA)5.44945
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available