Sulfuryl chloride (CED0009573)

Record Information
Version1.0
Creation Date2016-05-19 04:42:28 UTC
Update Date2026-08-26 00:20:29 UTC
Accession NumberCHEM015059
Identification
Common NameSulfuryl chloride
ClassSmall Molecule
Description
Sulfuryl chloride is an inorganic compound with the chemical formula Cl2O2S and an average molecular weight of 134.96 g/mol. Sulfuryl chloride belongs to the halogen oxides, a subclass of halogen organides within the inorganic compounds. It is categorized as a homogeneous non-metal compound. The substance is found in or released from 12 recorded sources across various sectors. Within the realm of electrical and electronic equipment, it is associated with magnets, fixed capacitors and their manufacture, electric switches, power cables, and communication cables or conductors, among three other sources. In the context of food, food processing, and cookware, it is linked to the preparation of vinegar and fermentation processes for beer. Additionally, sulfuryl chloride is identified in household cleaning and consumer products as an ingredient in bleaching agents, and in building and construction materials such as tents or canopies.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
[SCL2O2]ChEBI
Chlorosulfuric acidChEBI
SCL2O2ChEBI
SO2CL2ChEBI
Sulfonyl chlorideChEBI
Sulfur dichloride dioxideChEBI
Sulfuric dichlorideChEBI
Sulfuric oxychlorideChEBI
Sulfuryl chlorideChEBI
SulfurylchloridChEBI
Sulphuryl dichlorideChEBI
ChlorosulfateGenerator
ChlorosulphateGenerator
Chlorosulphuric acidGenerator
Sulphonyl chlorideGenerator
Sulphur dichloride dioxideGenerator
Sulphuric dichlorideGenerator
Sulphuric oxychlorideGenerator
Sulphuryl chlorideGenerator
SulphurylchloridGenerator
ClSO2CLMeSH
Sulfuryl dichlorideGenerator
Chemical FormulaCl2O2S
Average Molecular Mass134.960 g/mol
Monoisotopic Mass133.900 g/mol
CAS Registry Number7791-25-5
IUPAC Namesulfuroyl dichloride
Traditional Namesulfonyl chloride
SMILESClS(Cl)(=O)=O
InChI IdentifierInChI=1S/Cl2O2S/c1-5(2,3)4
InChI KeyYBBRCQOCSYXUOC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as halogen oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a halogen.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHalogen organides
Sub ClassHalogen oxides
Direct ParentHalogen oxides
Alternative Parents
Substituents
  • Halogen oxide
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
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 Properties
PropertyValueSource
Water Solubility6.89 g/LALOGPS
logP0.83ALOGPS
logP0.69ChemAxon
logS-1.3ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity20.91 m³·mol⁻¹ChemAxon
Polarizability8.63 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-001r-3900000000-459d2585dda026674f50Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0900000000-ee35264878c36385097cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0900000000-ee35264878c36385097cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0900000000-ee35264878c36385097cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0900000000-cf4fcc91e4c79e538e8dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0900000000-cf4fcc91e4c79e538e8dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0900000000-cf4fcc91e4c79e538e8dNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
503Tents Or CanopiesBuilding & ConstructionNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
533Sparking PlugsElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
603NematocidesAgriculture & land managementNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
625Racing SportsRecreation & sports surfacesNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)2285.03
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)1316.82
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)1945.84
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)2560.23
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)143.398
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)1064.04
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)143.398
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)1398.02
Click to view 3D structureCarbonic anhydraseP40881Methanosarcina thermophilaPredicted (SEA)83.9215
Click to view 3D structureAstrosclerin-3A6YCJ1Astrosclera willeyanaPredicted (SEA)319.415
Click to view 3D structureCarbonic anhydraseP53615Saccharomyces cerevisiae S288cPredicted (SEA)284.228
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)6543.3
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7221.53
Carbonic anhydrase 13 structureClick to view 3D structureCarbonic anhydrase 13Q8N1Q1HumansPredicted (SEA)4692.98
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)3017.75
Click to view 3D structureCarbonic anhydrase 2P00921Bos taurusPredicted (SEA)988.062
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)7006.59
Click to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)3774.21
Click to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)3721.74
Click to view 3D structureDelta carbonic anhydraseQ5U9J1Conticribra weissflogiiPredicted (SEA)1124.38
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)6273.17
Click to view 3D structureCarbonate dehydrataseB2V8E3Sulfurihydrogenibium sp. (strain YO3AOP1)Predicted (SEA)1286.61
Click to view 3D structureCarbonic anhydraseO24855Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)1511.21
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)2494.83
Click to view 3D structureCarbonic anhydrase, alpha familyQ31FD6Thiomicrospira crunogenaPredicted (SEA)1286.69
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0258612
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSulfuryl chloride
Chemspider ID23050
ChEBI ID29291
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References