Dicyclohexylcarbamodithioic acid (CED0000089)

Record Information
Version1.0
Creation Date2026-08-19 02:44:22 UTC
Update Date2026-08-19 02:44:22 UTC
Accession NumberCHEM175347
Identification
Common NameDicyclohexylcarbamodithioic acid
ClassSmall Molecule
Description
Dicyclohexylcarbamodithioic acid belongs to the organosulfur compounds, a superclass within the organic compounds. It has the chemical formula C13H23NS2 and an average molecular weight of 257.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H23NS2
Average Molecular Mass257.500 g/mol
Monoisotopic Mass257.127 g/mol
CAS Registry Number4493-33-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C13H23NS2/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,16)
InChI KeyPEEFBAYDEKJSPE-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
404.0Log mg/kg[230:720]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)0.311397
Click to view 3D structureGasdermin-DQ9D8T2Mus musculusPredicted (SEA)0.311397
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)260.25
D-3-phosphoglycerate dehydrogenase structureClick to view 3D structureD-3-phosphoglycerate dehydrogenaseO43175HumansPredicted (SEA)3.65891
All-trans-retinol dehydrogenase [NAD(+)] ADH4 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH4P08319HumansPredicted (SEA)4.7488
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)2324.73
Click to view 3D structureCarbamate kinaseO97438Giardia intestinalisPredicted (SEA)0.778492
Camphor 5-monooxygenase structureClick to view 3D structureCamphor 5-monooxygenaseP00183Pseudomonas putidaPredicted (SEA)32.3853
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)5468.36
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)5914.98
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)5268.29
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)5533.99
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)6068.27
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)6245.84
Fructose-1,6-bisphosphatase 1 structureClick to view 3D structureFructose-1,6-bisphosphatase 1P09467HumansPredicted (SEA)670.438
Sphingosine 1-phosphate receptor 3 structureClick to view 3D structureSphingosine 1-phosphate receptor 3Q99500HumansPredicted (SEA)4175.21
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)7067.46
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)6649.02
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)5989.49
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)7284.27
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)7170.07
Alcohol dehydrogenase 1A structureClick to view 3D structureAlcohol dehydrogenase 1AP07327HumansPredicted (SEA)14.6357
Aldehyde dehydrogenase 1A1 structureClick to view 3D structureAldehyde dehydrogenase 1A1P00352HumansPredicted (SEA)2283.32
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)6498.7
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)5412.23
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available