Record Information
Version1.0
Creation Date2016-05-19 04:42:28 UTC
Update Date2016-11-09 01:15:08 UTC
Accession NumberCHEM015059
Identification
Common NameSulfuryl chloride
ClassSmall Molecule
Description
Contaminant Sources
  • HPV EPA Chemicals
  • OECD HPV Chemicals
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
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
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot 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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-001r-3900000000-459d2585dda026674f50Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0900000000-ee35264878c36385097cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0900000000-ee35264878c36385097cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-0900000000-ee35264878c36385097cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0900000000-cf4fcc91e4c79e538e8dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-0900000000-cf4fcc91e4c79e538e8dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-0900000000-cf4fcc91e4c79e538e8dSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
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 ReferencesNot Available