Tert-butyl n-(c-methylsulfanylcarbonimidoyl)carbamate (CED0311951)

Record Information
Version1.0
Creation Date2026-09-01 10:52:00 UTC
Update Date2026-09-01 10:52:00 UTC
Accession NumberCHEM357737
Identification
Common NameTert-butyl n-(c-methylsulfanylcarbonimidoyl)carbamate
ClassSmall Molecule
Description
Tert-butyl n-(c-methylsulfanylcarbonimidoyl)carbamate is a compound with the formula C7H14N2O2S. It has an average molecular weight of 190.27 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H14N2O2S
Average Molecular MassNot Available
Monoisotopic Mass190.078 g/mol
CAS Registry Number173998-77-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)(C)OC(=O)NC(=N)SC
InChI IdentifierInChI=1S/C7H14N2O2S/c1-7(2,3)11-6(10)9-5(8)12-4/h1-4H3,(H2,8,9,10)
InChI KeyQNNVPHNPWRBCKH-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
13.0Log mg/kg[7:23]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
545Food PreservationFood, food processing & cookwareNot Available
596AcaricidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)425.29
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)405.672
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)558.412
Click to view 3D structureProcathepsin LP25975Bos taurusPredicted (SEA)152.507
Papain structureClick to view 3D structurePapainP00784Carica papayaPredicted (SEA)257.525
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)796.242
Glutamyl endopeptidase structureClick to view 3D structureGlutamyl endopeptidaseP0C1U8Staphylococcus aureusPredicted (SEA)223.272
Click to view 3D structureProbable periplasmic serine endoprotease DegP-likeP18584Chlamydia trachomatisPredicted (SEA)204.899
Click to view 3D structureLymphoid enhancer-binding factor 1Q9UJU2HumansPredicted (SEA)67.4174
Cruzipain structureClick to view 3D structureCruzipainP25779Trypanosoma cruziPredicted (SEA)1508.41
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)3766.11
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)3772.81
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)4194.44
Gamma-secretase subunit PEN-2 structureClick to view 3D structureGamma-secretase subunit PEN-2Q9NZ42HumansPredicted (SEA)332.883
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)6969.22
Click to view 3D structureAcetyl-Coenzyme A carboxylase 2Q1HEC0Rattus norvegicusPredicted (SEA)619.991
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)3439.61
Glyceraldehyde-3-phosphate dehydrogenase structureClick to view 3D structureGlyceraldehyde-3-phosphate dehydrogenaseP46406Oryctolagus cuniculusPredicted (SEA)2.25763
Click to view 3D structureMecAQ7DHH4Staphylococcus aureusPredicted (SEA)475.659
Neuromedin-K receptor structureClick to view 3D structureNeuromedin-K receptorP29371HumansPredicted (SEA)3341.6
Click to view 3D structureCathepsin DP80209Bos taurusPredicted (SEA)565.886
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)4534.87
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)5049.69
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)5320.45
Serine protease 1 structureClick to view 3D structureSerine protease 1P00760Bos taurusPredicted (SEA)2265.02
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available