chempirical

Sulfolane

C4H8O2SCAS 126-33-0120.17 g/mol

Open in Covalent MOL file
OSO
Sulfone

Properties

Molecular formula
C4H8O2S
Molar mass
120.17 g/mol
Exact mass
120.0245 Da
Density
1.2606 g/mL (at 30 °C)
Melting point
27.4–27.8 °C
Boiling point
285 °C
Water solubility
miscible (30 °C)
logP
0.20Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
126-33-0
SMILES
O=S1(=O)CCCC1
InChIKey
HXJUTPCZVOIRIF-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2

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Names and synonyms

19 names · show all
  • Thiophene, tetrahydro-, 1,1-dioxide
  • Cyclic tetramethylene sulfone
  • Cyclotetramethylene sulfone
  • Sulfolan
  • Tetrahydrothiophene 1,1-dioxide
  • Tetramethylene sulfone
  • 1,1-Dioxothiolan
  • Bondolane A
  • Thiacyclopentane dioxide
  • Tetrahydrothiophene dioxide
  • Sulpholane
  • Thiophane dioxide
  • Bondelane A
  • Thiophane 1,1-dioxide
  • Thiolane 1,1-dioxide
  • Tetrahydrothiophene S,S-dioxide
  • NSC 46443
  • Sulfolane SG
  • 1λ6-Thiolane-1,1-dione

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 126-33-0. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Sulfolane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1′-Sulfonylbis[butane]598-04-959 % similar Oxathiane 4,4-dioxide107-61-947 % similar Thiomorpholine 1,1-dioxide39093-93-147 % similar Propyl sulfone598-03-847 % similar 1,1-Dioxo-tetrahydro-thiopyran-4-one17396-35-942 % similar 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide210240-20-340 % similar 4-Aminothiomorpholine 1,1-dioxide26494-76-840 % similar Thiomorpholine 1,1-dioxide hydrochloride59801-62-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl (methylthio)acetate16630-66-3 (Ethylsulfonyl)ethene1889-59-4 3-Mercaptoisobutyric acid26473-47-2 Methyl 3-mercaptopropionate2935-90-2 Dimethylsulfonioacetate4727-41-7 Ethyl mercaptoacetate623-51-8 2-(Ethylthio)acetic acid627-04-3 3-(Methylthio)propanoic acid646-01-5

Elsewhere

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