Sulfur dioxide (YMDB01785)

Identification

YMDB ID

YMDB01785

Name

Sulfur dioxide

Species

Saccharomyces cerevisiae

Strain

Brewer's yeast

Description

Sulfur dioxide, also known as [SO2] or R-764, belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'. Based on a literature review a significant number of articles have been published on Sulfur dioxide.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Fermenicide liquid
Fermenicide powder
Fermenticide liquid
Oxosulfane oxide
Schwefel(IV)-oxid
Sulfur dioxide
Sulfur dioxide (NF)
Sulfur oxide
Sulfur oxide (SO2)
Sulfurous acid anhydride
Sulfurous anhydride
Sulfurous oxide
Sulphur dioxide
[SO2]
R-764
Schwefeldioxid
SO2
Sulphurous anhydride
Sulphurous oxide
Anhydride, sulfurous
Dioxide, sulfur
Dioxidosulfur
e220
FEMA 3039
Siarki dwutlenek
Sulfur dioxide (so2)
Sulfur dioxide (so2) 10% by volume or more so2
Sulfur superoxide
Sulfur-dioxide
Surfur dioxide (anhydrous)

CAS number

Not Available

Weight

Average: 64.064
Monoisotopic: 63.961899934

InChI Key

RAHZWNYVWXNFOC-UHFFFAOYSA-N

InChI

InChI=1S/O2S/c1-3-2

IUPAC Name

(oxo-λ⁴-sulfanylidene)oxidane

Traditional IUPAC Name

sulfur dioxide

Chemical Formula

O₂S

SMILES

O=S=O

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Other non-metal organides

Sub Class

Other non-metal oxides

Direct Parent

Other non-metal oxides

Alternative Parents

Inorganic oxides

Substituents

Other non-metal oxide
Inorganic oxide

Molecular Framework

Not Available

External Descriptors

sulfur oxide (CHEBI:18422 )
a non-metabolic compound (SULFUR-DIOXIDE )

Physical Properties

State

Liquid

Charge

Melting point

-72 °C

Experimental Properties

Property	Value	Reference
Water Solubility	107 mg/mL at 21 oC [VENABLE,CS & FUWA,T (1922)]	PhysProp
LogP	Not Available	PhysProp

Predicted Properties

Property	Value	Source
logP	0.32	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	34.14 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	8.64 m³·mol⁻¹	ChemAxon
Polarizability	4.25 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Biological Properties

Cellular Locations

Not Available

Organoleptic Properties

Flavour/Odour	Source
Bitter	FDB013399

SMPDB Pathways

Not Available

KEGG Pathways

Not Available

SMPDB Reactions

Not Available

KEGG Reactions

Not Available

Concentrations

Intracellular Concentrations

Not Available

Extracellular Concentrations

Not Available

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-03di-9000000000-bbfabf900d287a000b60	JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-9000000000-5b7f4b63a1332198f1dd	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9000000000-5b7f4b63a1332198f1dd	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-9000000000-5b7f4b63a1332198f1dd	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-9000000000-6b67d68ad3886a960ba6	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-9000000000-6b67d68ad3886a960ba6	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-9000000000-6b67d68ad3886a960ba6	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-9000000000-2c4a3db8921d94d7f526	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9000000000-2c4a3db8921d94d7f526	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-9000000000-2c4a3db8921d94d7f526	JSpectraViewer

References

References:

Not Available

Synthesis Reference:

Not Available

External Links:

Resource	Link
CHEBI ID	18422
HMDB ID	HMDB0034834
Pubchem Compound ID	1119
Kegg ID	C09306
ChemSpider ID	1087
FOODB ID	FDB013399
Wikipedia ID	Sulfur dioxide
BioCyc ID	Not Available

Structure for #<Compound:0xad69901c>