1,2-benzothiazole-3-carboxylic acid (CED0215076)

Record Information
Version1.0
Creation Date2026-08-24 21:11:41 UTC
Update Date2026-08-24 21:11:41 UTC
SynCED IDCED0215076
Secondary Accession Numbers
  • CHEM255043
Identification
Common Name1,2-benzothiazole-3-carboxylic acid
ClassSmall Molecule
Description
1,2-benzothiazole-3-carboxylic acid (C8H5NO2S) is an organic compound with an average molecular weight of 179.20 g/mol. 1,2-benzothiazole-3-carboxylic acid belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. This substance has been found in or released from one recorded source: electrical and electronic equipment, specifically electric hearing aids.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H5NO2S
Average Molecular Mass179.200 g/mol
Monoisotopic Mass179.004 g/mol
CAS Registry Number40991-34-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H5NO2S/c10-8(11)7-5-3-1-2-4-6(5)12-9-7/h1-4H,(H,10,11)
InChI KeyKTORKRBAIRTBCP-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1268.0 Log mg/kg [710:2300]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
CEDs000516Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.Electrical & Electronic EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureTrans-cinnamate 4-monooxygenaseQ04468Helianthus tuberosusPredicted (SEA)
Prediction Confidence Score
0.361
Applicability Domain
0.361
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Click to view 3D structureAdvanced glycosylation end product-specific receptorQ63495Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.343
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.326
Statistical Significance
0.0616
Supporting Reference Compounds
906
E-value
479.94
Cyclin-dependent kinase 5 structureClick to view 3D structureCyclin-dependent kinase 5Q00535HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.326
Statistical Significance
0.071
Supporting Reference Compounds
779
E-value
552.885
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.326
Statistical Significance
0.094
Supporting Reference Compounds
1029
E-value
732.016
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.326
Statistical Significance
0.0776
Supporting Reference Compounds
763
E-value
604.344
Click to view 3D structureDual specificity protein kinase CLK1P22518Mus musculusPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.326
Statistical Significance
0.0017
Supporting Reference Compounds
56
E-value
13.3901
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.316
Statistical Significance
0.0169
Supporting Reference Compounds
215
E-value
131.254
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.345
Statistical Significance
6.50e-04
Supporting Reference Compounds
12
E-value
5.0602
Neuronal calcium sensor 1 structureClick to view 3D structureNeuronal calcium sensor 1P62166HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.298 Low confidence
Statistical Significance
0.0016
Supporting Reference Compounds
1
E-value
12.6116
Frequenin-2 structureClick to view 3D structureFrequenin-2Q9VWX8Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.298 Low confidence
Statistical Significance
0.0016
Supporting Reference Compounds
1
E-value
12.6116
Dual specificity tyrosine-phosphorylation-regulated kinase 1B structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1BQ9Y463HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.326
Statistical Significance
0.0521
Supporting Reference Compounds
377
E-value
405.672
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.368
Statistical Significance
0.0549
Supporting Reference Compounds
472
E-value
427.159
Dual specificity tyrosine-phosphorylation-regulated kinase 2 structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 2Q92630HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.326
Statistical Significance
0.0238
Supporting Reference Compounds
196
E-value
185.203
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.31
Statistical Significance
0.0981
Supporting Reference Compounds
955
E-value
763.857
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.31
Statistical Significance
0.107
Supporting Reference Compounds
1103
E-value
832.753
Click to view 3D structureDual specificity protein kinase CLK4O35493Mus musculusPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.326
Statistical Significance
0.0015
Supporting Reference Compounds
33
E-value
11.366
Click to view 3D structureDual specificity protein kinase CLK2O35491Mus musculusPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.326
Statistical Significance
0.0013
Supporting Reference Compounds
30
E-value
10.5096
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.31
Statistical Significance
0.0887
Supporting Reference Compounds
953
E-value
690.912
Click to view 3D structureMannose-6-phosphate isomeraseP34949HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.333
Statistical Significance
7.70e-04
Supporting Reference Compounds
53
E-value
5.99439
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.316
Statistical Significance
0.0162
Supporting Reference Compounds
125
E-value
125.882
Click to view 3D structureHexokinaseQ38C41Trypanosoma bruceiPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.316
Statistical Significance
5.80e-04
Supporting Reference Compounds
17
E-value
4.51525
Click to view 3D structureGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonaseQ9BHT9Plasmodium bergheiPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.316
Statistical Significance
0.003
Supporting Reference Compounds
105
E-value
23.6662
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.326
Statistical Significance
0.1189
Supporting Reference Compounds
742
E-value
925.627
Cyclin-dependent kinase 9 structureClick to view 3D structureCyclin-dependent kinase 9P50750HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.326
Statistical Significance
0.0777
Supporting Reference Compounds
426
E-value
604.811
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available