[(e)-2-thiocyanatoethenyl] thiocyanate (CED0308683)

Record Information
Version1.0
Creation Date2026-09-01 06:09:36 UTC
Update Date2026-09-01 06:09:36 UTC
SynCED IDCED0308683
Secondary Accession Numbers
  • CHEM354343
Identification
Common Name[(e)-2-thiocyanatoethenyl] thiocyanate
ClassSmall Molecule
Description
[(e)-2-thiocyanatoethenyl] thiocyanate is a chemical compound with the formula C4H2N2S2. It has an average molecular weight of 142.20 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC4H2N2S2
Average Molecular MassNot Available
Monoisotopic Mass141.966 g/mol
CAS Registry Number14150-71-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESC(=CSC#N)SC#N
InChI IdentifierInChI=1S/C4H2N2S2/c5-3-7-1-2-8-4-6/h1-2H/b2-1+
InChI KeyMNCUCCJMXIWMJJ-OWOJBTEDSA-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
46.0 Log mg/kg [30:82]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
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementNot Available
CEDs000514Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.Electrical & Electronic EquipmentNot Available
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
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentNot Available
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementNot Available
CEDs000597Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.Agriculture & land managementNot Available
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementNot Available
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementNot Available
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.Agriculture & land managementNot Available
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementNot Available
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementNot Available
CEDs000607Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.Agriculture & land managementNot Available
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.Agriculture & land managementNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.109
Applicability Domain
0.185 Low confidence
Statistical Significance
0.9995
Supporting Reference Compounds
215
E-value
7780.95
Peroxisomal N(1)-acetyl-spermine/spermidine oxidase structureClick to view 3D structurePeroxisomal N(1)-acetyl-spermine/spermidine oxidaseQ8C0L6Mus musculusPredicted (SEA)
Prediction Confidence Score
0.108
Applicability Domain
0.115 Low confidence
Statistical Significance
0.0028
Supporting Reference Compounds
2
E-value
21.7199
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.108
Applicability Domain
0.138 Low confidence
Statistical Significance
0.9997
Supporting Reference Compounds
1301
E-value
7782.28
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.107
Applicability Domain
0.138 Low confidence
Statistical Significance
0.9996
Supporting Reference Compounds
1130
E-value
7781.65
Ribosomal protein S6 kinase alpha-3 structureClick to view 3D structureRibosomal protein S6 kinase alpha-3P51812HumansPredicted (SEA)
Prediction Confidence Score
0.106
Applicability Domain
0.116 Low confidence
Statistical Significance
0.9994
Supporting Reference Compounds
733
E-value
7780.1
Click to view 3D structureProstaglandin-H2 D-isomeraseO02853Bos taurusPredicted (SEA)
Prediction Confidence Score
0.106
Applicability Domain
0.106 Low confidence
Statistical Significance
0.2818
Supporting Reference Compounds
1
E-value
2193.79
Click to view 3D structureBeta-lactamase OXA-2P0A1V9Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.106
Applicability Domain
0.106 Low confidence
Statistical Significance
0.1355
Supporting Reference Compounds
1
E-value
1054.7
Click to view 3D structureBeta-lactamase pse-1Q2V0Y6Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.106
Applicability Domain
0.106 Low confidence
Statistical Significance
0.1355
Supporting Reference Compounds
1
E-value
1054.7
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
0.106
Applicability Domain
0.185 Low confidence
Statistical Significance
0.9935
Supporting Reference Compounds
48
E-value
7734.55
Serine/threonine-protein kinase MARK2 structureClick to view 3D structureSerine/threonine-protein kinase MARK2Q7KZI7HumansPredicted (SEA)
Prediction Confidence Score
0.104
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9992
Supporting Reference Compounds
512
E-value
7779.08
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.103
Applicability Domain
0.113 Low confidence
Statistical Significance
0.9996
Supporting Reference Compounds
906
E-value
7781.65
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)
Prediction Confidence Score
0.102
Applicability Domain
0.116 Low confidence
Statistical Significance
0.9997
Supporting Reference Compounds
934
E-value
7782.28
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.101
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9997
Supporting Reference Compounds
1157
E-value
7782.59
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.214 Low confidence
Statistical Significance
0.9998
Supporting Reference Compounds
407
E-value
7783.68
Cyclin-dependent kinase 5 structureClick to view 3D structureCyclin-dependent kinase 5Q00535HumansPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9996
Supporting Reference Compounds
779
E-value
7781.81
MAP/microtubule affinity-regulating kinase 3 structureClick to view 3D structureMAP/microtubule affinity-regulating kinase 3P27448HumansPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9995
Supporting Reference Compounds
627
E-value
7780.8
Cyclin-dependent kinase 1 structureClick to view 3D structureCyclin-dependent kinase 1P06493HumansPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9996
Supporting Reference Compounds
715
E-value
7781.96
High affinity nerve growth factor receptor structureClick to view 3D structureHigh affinity nerve growth factor receptorP04629HumansPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9996
Supporting Reference Compounds
869
E-value
7781.73
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9996
Supporting Reference Compounds
727
E-value
7781.65
STE20-like serine/threonine-protein kinase structureClick to view 3D structureSTE20-like serine/threonine-protein kinaseQ9H2G2HumansPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9994
Supporting Reference Compounds
515
E-value
7780.1
Insulin-like growth factor 1 receptor structureClick to view 3D structureInsulin-like growth factor 1 receptorP08069HumansPredicted (SEA)
Prediction Confidence Score
0.099
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9996
Supporting Reference Compounds
785
E-value
7781.96
Dual specificity mitogen-activated protein kinase kinase 4 structureClick to view 3D structureDual specificity mitogen-activated protein kinase kinase 4P45985HumansPredicted (SEA)
Prediction Confidence Score
0.099
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9974
Supporting Reference Compounds
113
E-value
7764.37
Glycogen synthase kinase-3 alpha structureClick to view 3D structureGlycogen synthase kinase-3 alphaP49840HumansPredicted (SEA)
Prediction Confidence Score
0.098
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9997
Supporting Reference Compounds
754
E-value
7782.43
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)
Prediction Confidence Score
0.097
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9998
Supporting Reference Compounds
797
E-value
7783.68
Serine/threonine-protein kinase 3 structureClick to view 3D structureSerine/threonine-protein kinase 3Q13188HumansPredicted (SEA)
Prediction Confidence Score
0.097
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9996
Supporting Reference Compounds
641
E-value
7781.65
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available