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Thionyl Chloride

An inorganic compound, Cl2OS, 118.972 g/mol. Boiling point 76 °C at 760 mm Hg, melting point -104.5 °C, as published.

verified record, Inorganic compound, 6 measured properties

Identifiers

Molecular formula
Cl₂OS
Molecular weight
118.972 g/mol
Exact mass
117.904691 g/mol
IUPAC name
thionyl dichloride
SMILES
O=S(Cl)Cl
InChI
InChI=1S/Cl2OS/c1-4(2)3
InChIKey
FYSNRJHAOHDILO-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
169 °F at 760 mmHg (NIOSH, 2024)measured · CAMEO Chemicals
76 °C at 760 mm Hgmeasured · Hazardous Substances Data Bank (HSDB)
Melting Point
-156 °F (NIOSH, 2024)measured · CAMEO Chemicals
-104.5 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Density
1.64 (NIOSH, 2024) - Denser than water; will sinkmeasured · CAMEO Chemicals
1.676 at 0 °C/4 °C; 1.655 at 10 °C/4 °C; 1.638 at 20 °C/4 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Solubility
Reacts with water (NIOSH, 2024)measured · CAMEO Chemicals
Decomposes (fumes) in watermeasured · Hazardous Substances Data Bank (HSDB)
Vapor Pressure
100 mmHg at 70 °F (NIOSH, 2024)measured · CAMEO Chemicals
119.0 [mmHg]measured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
Refractive Index
Index of refraction 1.517 at 20 °C/Dmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1732

Calculated properties

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

Molecular weight
118.97 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
117.9046912 Dacalculated · reference compound database
Mass of the most common isotopic form.
XLogP3
1.5calculated · reference compound database
Estimated oil/water partition, computed by reference compound database.
Polar surface area
36.3 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
29calculated · 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
1.0427calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
17.07 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
1calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
0calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
19.8484 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
0.4352calculated · 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
4
Total atoms, hydrogen included
4
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 Thionyl Chloride yet.

Other names for it

The systematic name on this record is thionyl dichloride.

The sources also call it Thionyl dichloride, Sulfinyl chloride, Sulfurous dichloride, Sulfurous oxychloride, Sulfinyl dichloride, Sulfur oxychloride, Sulfur chloride oxide, Sulfur chloride oxide (Cl2SO), 4A8YJA13N4, DTXSID3064778, CHEBI:29290.

Structurally related

Nothing structurally close to Thionyl Chloride has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Thionyl 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.

1,2-Dichloroethane

used as a reactant

C₂H₄Cl₂, 98.96 g/mol.

(4-Amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amine

used as a reactant

C₁₃H₂₀N₂O, 220.316 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 T

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

Molar mass calculator

Work with Cl2OS in a calculation, with every element's contribution shown.

Molarity calculator

Grams of Thionyl 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.