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Sulfuryl chloride

An inorganic compound, Cl2O2S, 134.971 g/mol. Boiling point 69.3 °C, melting point -54.1 °C, as published.

verified record, Inorganic compound, 7 measured properties

Identifiers

Molecular formula
Cl₂O₂S
Molecular weight
134.971 g/mol
Exact mass
133.899606 g/mol
IUPAC name
sulfuryl dichloride
SMILES
O=S(=O)(Cl)Cl
InChI
InChI=1S/Cl2O2S/c1-5(2,3)4
InChIKey
YBBRCQOCSYXUOC-UHFFFAOYSA-N
Open in ReactionLensUse in reaction prediction

Measured properties

Published measurements, each with its source. Two readings of one property are both shown, in the units each used.

Boiling Point
156.4 °F at 760 mmHg (USCG, 1999)measured · CAMEO Chemicals
69.3 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Melting Point
-54.1 °Cmeasured · Hazardous Substances Data Bank (HSDB)
-54.1 °Cmeasured · ILO-WHO International Chemical Safety Cards (ICSCs)
Density
1.67 at 68 °F (USCG, 1999) - Denser than water; will sinkmeasured · CAMEO Chemicals
1.6674 at 20 °C/4 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Solubility
Miscible with benzene, toluene, ether, glacial acetic acid, and other org solventsmeasured · Hazardous Substances Data Bank (HSDB)
Solubility in water: reactionmeasured · ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor Pressure
140.0 [mmHg]measured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
Vapor pressure = 100 mm Hg at 17.8 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Viscosity
0.918 mPa-s at 0 °C; 0.595 mPa-s at 37.8 °Cmeasured · Weil ED; Kirk-Othmer Encyclopedia of Chemical Technology. (2005). NY, NY: John Wiley & Sons; Sulfur Compounds. Online Posting Date: Jun 16, 2001.
Refractive Index
Index of refraction: 1.4437 at 20 degC/Dmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1602

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight
134.97 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
133.8996058 Dacalculated · reference compound database
Mass of the most common isotopic form.
XLogP3
1.2calculated · reference compound database
Estimated oil/water partition, computed by reference compound database.
Polar surface area
42.5 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
85calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
0calculated · reference compound database
H-bond acceptors
2calculated · reference compound database
logP
0.7088calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
34.14 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
0calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
2calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
0calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
20.6258 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
0calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.458calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded
5
Total atoms, hydrogen included
5
Rings
0
Aromatic rings
0
Stereocentres
0
Formal charge
0

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves Sulfuryl chloride yet.

Other names for it

The systematic name on this record is sulfuryl dichloride.

The sources also call it Sulfuryl dichloride, Sulfonyl chloride, Sulphuryl chloride, Sulfonyl dichloride, Sulfuric dichloride, Sulfuric oxychloride, Sulfuryl chloride (SO2Cl2), Sulfur oxychloride (SO2Cl2), DTXSID6029707, JD26K0R3J1, DTXCID109707.

Structurally related

Nothing structurally close to Sulfuryl chloride has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Sulfuryl chloride. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

1,4-Dioxane

used as a reactant

C₄H₈O₂, 88.106 g/mol.

1,1-Dichloroethane

used as a reactant

C₂H₄Cl₂, 98.96 g/mol.

1,8-Diazabicyclo(5.4.0)undec-7-ene

used as a reactant

C₉H₁₆N₂, 152.241 g/mol.

1,4-Bis(2,2,2-trifluoroethoxy)benzene

used as a reactant

C₁₀H₈F₆O₂, 274.16 g/mol.

Where these values came from

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.

Where to next

More molecules under S

The rest of this shelf, a hundred names at a time.

Molar mass calculator

Work with Cl2O2S in a calculation, with every element's contribution shown.

Molarity calculator

Grams of Sulfuryl chloride for a volume and a concentration, or the concentration a mass gives.

Open in ReactionLens

The full record in the workstation: every atom, every bond, and the reactions it appears in.