Sulfolene

C4H6O2SCAS 77-79-2118.15 g/mol

Open in Covalent MOL file
OSO
AlkeneSulfone

Properties

Molecular formula
C4H6O2S
Molar mass
118.15 g/mol
Exact mass
118.0089 Da
Density
1.3 g/mL (at 15 °C)
Melting point
64–65.5 °C
Boiling point
149.5–150 °C (at 15 Torr)
Flash point
112.8 °C
Water solubility
50–100 g/L (16.1 °C)
logP
-0.03Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317

Identifiers

CAS number
77-79-2
SMILES
O=S1(=O)CC=CC1
InChIKey
MBDNRNMVTZADMQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • Thiophene, 2,5-dihydro-, 1,1-dioxide
  • 2,5-Dihydrothiophene 1,1-dioxide
  • 3-Sulfolene
  • 2,5-Dihydrothiophene sulfone
  • 2,5-Dihydrothiophene dioxide
  • β-Sulfolene
  • 2,5-Dihydrothiophene S,S-dioxide
  • Sulpholene
  • NSC 48532
  • NSC 56373
  • 2,5-Dihydrothiophen-1,1-dioxide
  • Butadiene sulfone
  • 2,5-Dihydro-1λ6-thiophene-1,1-dione

Work with Sulfolene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiete sulfone7285-32-737 % similar Sulfolane126-33-035 % similar 3-Methyl-2,5-dihydrothiophene 1,1-dioxide1193-10-833 % similar Ethyl sulfone597-35-333 % similar Oxathiane 4,4-dioxide107-61-930 % similar Thiomorpholine 1,1-dioxide39093-93-130 % similar Propyl sulfone598-03-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Divinyl sulfone77-77-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia