(Allylsulphonyl)benzene (CED0000600)

Record Information
Version1.0
Creation Date2026-04-05 01:16:01 UTC
Update Date2026-08-25 07:55:35 UTC
Accession NumberCHEM088075
Identification
Common Name(Allylsulphonyl)benzene
ClassSmall Molecule
Description
(Allylsulphonyl)benzene is an organic compound with the formula C9H10O2S and an average molecular weight of 182.24 g/mol. (Allylsulphonyl)benzene belongs to the benzenesulfonyl compounds, a subclass of benzene and substituted derivatives within the organic compounds. This substance is recorded as being found in or released from electrical and electronic equipment, specifically electric hearing aids.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H10O2S
Average Molecular Mass182.240 g/mol
Monoisotopic Mass182.040 g/mol
CAS Registry Number16212-05-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESC=CCS(=O)(=O)C1=CC=CC=C1
InChI IdentifierInChI=1/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2
InChI KeyKYPIULIVYSQNNT-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
1120.0Log mg/kg[630:2000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
633Azo DyesTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot 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)4.82665
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)189.018
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)321.751
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)267.646
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)221.637
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)207.39
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)207.546
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)86.8797
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)86.8797
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)445.142
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)147.369
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)424.278
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)229.577
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)318.403
Matrilysin structureClick to view 3D structureMatrilysinP09237HumansPredicted (SEA)263.831
Toll-like receptor 9 structureClick to view 3D structureToll-like receptor 9Q9NR96HumansPredicted (SEA)61.968
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)156.866
Click to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)95.6767
Click to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)80.4182
Click to view 3D structureCarbonic anhydrase 2P00921Bos taurusPredicted (SEA)50.7577
Carbonic anhydrase 13 structureClick to view 3D structureCarbonic anhydrase 13Q8N1Q1HumansPredicted (SEA)110.079
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)576.863
Sphingosine 1-phosphate receptor 2 structureClick to view 3D structureSphingosine 1-phosphate receptor 2O95136HumansPredicted (SEA)64.3813
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)533.89
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)265.855
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available