Methyl 2,3,5,6-tetrachloro-4-methylsulfanylcarbonylbenzoate (CED0231732)

Record Information
Version1.0
Creation Date2026-08-26 19:36:56 UTC
Update Date2026-08-26 19:36:56 UTC
Accession NumberCHEM275573
Identification
Common NameMethyl 2,3,5,6-tetrachloro-4-methylsulfanylcarbonylbenzoate
ClassSmall Molecule
Description
Methyl 2,3,5,6-tetrachloro-4-methylsulfanylcarbonylbenzoate is an organic compound with the formula C10H6Cl4O3S and an average molecular weight of 348.00 g/mol. Methyl 2,3,5,6-tetrachloro-4-methylsulfanylcarbonylbenzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. Within the chemical hierarchy, it is further classified as a benzenoid. This compound has been identified in or released from three recorded sources. These sources include electrical and electronic equipment, specifically electric switches, line transmission systems, and radio transmission systems.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H6Cl4O3S
Average Molecular MassNot Available
Monoisotopic Mass345.879 g/mol
CAS Registry Number3765-57-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)SC)Cl)Cl
InChI IdentifierInChI=1S/C10H6Cl4O3S/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3
InChI KeyKNDXZFMNQKSIHU-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
2399.0Log mg/kg[1300:4300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
517Electric SwitchesElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSerpin H1P50454HumansPredicted (SEA)2.41333
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)3497.06
Click to view 3D structureSodium-dependent serotonin transporterQ9MYX0Macaca mulattaPredicted (SEA)36.7448
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)4248.31
Chromodomain-helicase-DNA-binding protein 1-like structureClick to view 3D structureChromodomain-helicase-DNA-binding protein 1-likeQ86WJ1HumansPredicted (SEA)13.4679
Click to view 3D structureAcrosinP10323HumansPredicted (SEA)139.194
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)3746.34
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)2530.02
Click to view 3D structurePhotosystem II protein D1P06402Marchantia polymorphaPredicted (SEA)155.387
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)3424.98
Click to view 3D structureSodium-dependent dopamine transporterQ9GJT6Macaca fascicularisPredicted (SEA)110.157
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)7097.9
Click to view 3D structureToxin ParEQ79EC5Escherichia coliPredicted (SEA)56.3628
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)3541.75
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)3388.62
Click to view 3D structureTransporterQ7JHP9Macaca mulattaPredicted (SEA)39.781
Click to view 3D structureTumor necrosis factor receptor superfamily member 6Q63199Rattus norvegicusPredicted (SEA)42.5057
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)4314.79
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)2409.67
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)4022.94
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)4046.29
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)3018.21
Nuclear factor erythroid 2-related factor 2 structureClick to view 3D structureNuclear factor erythroid 2-related factor 2Q16236HumansPredicted (SEA)352.579
Mitogen-activated protein kinase 8 structureClick to view 3D structureMitogen-activated protein kinase 8P45983HumansPredicted (SEA)6878.13
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)2935.93
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available