[Methylenebis(sulphonyl)]bisbenzene (CED0114918)

Record Information
Version1.0
Creation Date2026-04-04 22:35:02 UTC
Update Date2026-08-18 23:14:15 UTC
Accession NumberCHEM084049
Identification
Common Name[Methylenebis(sulphonyl)]bisbenzene
ClassSmall Molecule
Description
[Methylenebis(sulphonyl)]bisbenzene belongs to the benzenesulfonyl compounds, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids. This compound has the chemical formula C13H12O4S2 and an average molecular weight of 296.36 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H12O4S2
Average Molecular Mass296.360 g/mol
Monoisotopic Mass296.018 g/mol
CAS Registry Number3406-02-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESO=S(=O)(CS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChI IdentifierInChI=1/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2
InChI KeyQCHNSJNRFSOCLJ-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
2744.0Log mg/kg[1500:4900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
233BrushesPersonal care & cosmeticsNot Available
589Life BuoysMarine, 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 structureReplication protein E1P04014human papillomavirus 11Predicted (SEA)1.16774
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)114.049
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)104.084
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)80.8075
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)90.3051
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)57.9977
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)84.7778
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)133.2
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)109.923
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)51.8476
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)218.523
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)207.468
Click to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)34.4872
Click to view 3D structureCarbonic anhydrase 2P00921Bos taurusPredicted (SEA)21.4864
Click to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)30.7504
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)166.13
Carbonic anhydrase 13 structureClick to view 3D structureCarbonic anhydrase 13Q8N1Q1HumansPredicted (SEA)38.5354
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)226.93
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)46.7874
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)46.7874
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)225.218
Matrilysin structureClick to view 3D structureMatrilysinP09237HumansPredicted (SEA)169.556
Click to view 3D structureDelta carbonic anhydraseQ5U9J1Conticribra weissflogiiPredicted (SEA)34.098
Click to view 3D structureLL-diaminopimelate aminotransferase, chloroplasticQ93ZN9Arabidopsis thalianaPredicted (SEA)11.4438
Click to view 3D structureAGAP002992-PAQ5TU56Anopheles gambiaePredicted (SEA)28.8821
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available