Sulfolane
An organic compound, C4H8O2S, 120.173 g/mol. Boiling point 285 °C, melting point 27.4-27.8 °C, as published.
Identifiers
- Molecular formula
- C₄H₈O₂S
- Molecular weight
- 120.173 g/mol
- Exact mass
- 120.0245 g/mol
- IUPAC name
- thiolane 1,1-dioxide
- O=S1(=O)CCCC1
- InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
- HXJUTPCZVOIRIF-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 545 °F at 760 mmHg (USCG, 1999)
- 285 °C
- Melting Point
- 79 °F (USCG, 1999)
- 27.4-27.8 °C
- Density
- 1.26 at 86 °F (USCG, 1999) - Denser than water; will sink
- 1.2606 at 30 °C/4 °C
- Solubility
- Partially miscible with octanes, olefins, naphthenes; miscible with water, Acetone, toluene at 30 °C
- Freely soluble in alcohol, soluble in dilute mineral acids
- Vapor Pressure
- 0.0062 [mmHg]
- Vapor pressure: 5 mm @ 118 °C
- LogP
- log Kow= -0.77
- -0.77
- Flash Point
- 330 °F (USCG, 1999)
- 177 °C (350 °F) (OPEN CUP)
- Viscosity
- 10.34 centipoises at 30 °C
- Refractive Index
- Index of refraction: 1.481 at 30 °C/D
Calculated properties
- Molecular weight
- 120.17 g/mol
- Exact mass
- 120.02450067 Da
- XLogP3
- -0.8
- Polar surface area
- 42.5 Ų
- Complexity
- 128
- H-bond donors
- 0
- H-bond acceptors
- 2
- logP
- 0.195
- Topological polar surface area
- 34.14 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Rotatable bonds
- 0
- Molar refractivity
- 27.8878 cm³/mol
- Fraction sp³ carbons
- 1
- QED drug-likeness
- 0.4572
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 7
- Total atoms, hydrogen included
- 15
- Rings
- 1
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
The molecule in three dimensions
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
Other names for it
The systematic name on this record is thiolane 1,1-dioxide.
The sources also call it Tetrahydrothiophene 1,1-dioxide, Tetramethylene sulfone, Sulfolan, 1,1-Dioxothiolan, Sulpholane, Thiophene, tetrahydro-, 1,1-dioxide, thiolane 1,1-dioxide, Sulfalone, Sulphoxaline, Dioxothiolan, Thiophan sulfone.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Sulfolane. 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.
(3-Iodophenyl)methanesulfonyl chloride
formed as a product
C₇H₆ClIO₂S, 316.547 g/mol.
1,1-dimethyl-8-[1-(1H-1,2,4-triazol-1-yl)-2,2,2-trifluoroethyl]-2(1H)-naphtho[2,1-b]furanone
formed as a product
C₁₈H₁₄F₃N₃O₂, 361.323 g/mol.
1,2-Dichloro-4-(4-(methylsulfinyl)phenoxy)benzene
formed as a product
C₁₃H₁₀Cl₂O₂S, 301.194 g/mol.
Where these values came from
chemistry engine
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 C4H8O2S in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Sulfolane 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.