Marvin  07191310272D          

  7  7  0  0  0  0            999 V2000
   11.4099   -7.7377    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0751   -7.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8381   -6.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0131   -6.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7530   -7.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8134   -8.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9884   -8.4468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
M  END
> <ID>
CHEBI:74794

> <NAME>
sulfolane

> <DEFINITION>
A member of the class of tetrahydrothiophenes that is tetrahydrothiophene in which the sulfur has been oxidised to give the corresponding sulfone. A colourless, high-boiling (285?C) liquid that is miscible with both water and hydrocarbons, it is used as an industrial solvent, particularly for the purification of hydrocarbon mixtures by liquid-vapour extraction.

> <STAR>
3

> <SYNONYM>
thiophane dioxide; thiophan sulfone; thiolane-1,1-dioxide; thiacyclopentane dioxide; tetramethylene sulfone; tetrahydrothiophene 1-dioxide; sulfolan; dioxothiolan; cyclotetramethylene sulfone; cyclic tetramethylene sulfone; 2,3,4,5-tetrahydrothiophene-1,1-dioxide; 1,1-dioxothiolan; 1,1-dioxidetetrahydrothiophene; 1,1-dioxidetetrahydrothiophene; 1,1-dioxidetetrahydrothiofuran; (CH2)4SO2

> <IUPAC_NAME>
tetrahydrothiophene 1,1-dioxide

> <FORMULA>
C4H8O2S

> <MASS>
120.17000

> <MONOISOTOPIC_MASS>
120.02450

> <CHARGE>
0

> <SMILES>
O=S1(=O)CCCC1

> <INCHI>
InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2

> <INCHIKEY>
HXJUTPCZVOIRIF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
126-33-0

> <REAXYS_REGISTRY_NUMBER>
107765

> <CHEMIDPLUS>
126-33-0

> <METACYC_ACCESSION>
CPD-3747

> <NIST_CHEMISTRY_WEBBOOK>
126-33-0

> <WIKIPEDIA_ACCESSION>
Sulfolane

> <PUBMED_CITATION>
11878596; 22219044; 22918536; 22936336; 3709502; 4071560

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