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Molecule record

SULFOLANE

C4H8O2S

120.17 g/mol

2D structure for SULFOLANE

Molecular properties

Formula
C4H8O2S
Molar mass
120.17 g·mol−1
Exact mass
120.0245 Da
1
0
2
42.50 Ų
-0.8 (PubChem computed XLogP3-AA descriptor)
CAS
126-33-0
PubChem CID
31347

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Aromatic ring
Phenol
Sulfone
Thiol

Physical properties

PropertyValueConditionsSource
Logp-0.8PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1,1-Dioxidetetrahydrothiophene
  • 1,1-Dioxothiolan
  • 126-33-0
  • Bondelane A
  • Bondolane A
  • Cyclic tetramethylene sulfone
  • Cyclotetramethylene sulfone
  • Dihydrobutadiene sulfone
Show all 22 synonyms
  • Dioxothiolan
  • Sulfalone
  • Sulfolan
  • Sulpholane
  • Sulphoxaline
  • Tetrahydrothiophene 1,1-dioxide
  • Tetrahydrothiophene dioxide
  • Tetramethylene sulfone
  • Thiacyclopentane dioxide
  • Thiolane-1,1-dioxide
  • Thiophan sulfone
  • Thiophane dioxide
  • Thiophene, tetrahydro-, 1,1-dioxide
  • thiolane 1,1-dioxide

Structure identifiers

Canonical SMILES
C1CCS(=O)(=O)C1
Isomeric SMILES
C1CCS(=O)(=O)C1
InChI
InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
InChIKey
HXJUTPCZVOIRIF-UHFFFAOYSA-N
PubChem CID
31347

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for SULFOLANE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for SULFOLANE; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record
SULFOLANE - Formula, Structure, Properties, IR and spectroscopy data | ChemArche