Sulfolane

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CAS Number

126-33-0

MDL Number

MFCD00005484

Smiles

C1CCS (=O) (=O) C1

Molecular Formula

C4H8O2S

Molecular Weight

120.17 g/mol

Controlled

Chemical Information

Sulfolane

Sulfolane is 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 (285C) 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. It has a role as a polar aprotic solvent. It is a sulfone and a member of tetrahydrothiophenes. It derives from a hydride of a tetrahydrothiophene.

CAS Number	126-33-0
PubChem CID	31347
IUPAC Name	thiolane 1,1-dioxide
Molecular Formula	C4H8O2S
Molecular Weight	120.17
XLogP	-0.8
Topological Polar Surface Area	42.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	128

SMILES

C1CCS(=O)(=O)C1

InChI

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

InChIKey

HXJUTPCZVOIRIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 126-33-0

CID: 31347

Formula: C4H8O2S

MW: 120.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	120.17
XLogP3	-0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	120.02450067
Monoisotopic Mass	120.02450067
Topological Polar Surface Area	42.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	128
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
FS61272-01	3-Sulfolene
AAA15247	Sulfalene (SMPZ)
FG23714-01	Guanidinoethyl sulfonate
AAA14475-01	Sodium sulfoxone
FC19688	Carbazochrome sodium sulfonate
BCA15439-01	Linoleyl methane sulfonate
FS148825-01	Sodium cumene sulfonate
UJA02167-01	Indirubin-5-sulfonate
FH23775-01	Hexachlorodimethyl sulfone
FD167646-01	Diethyl sulfone

Alternative Products

Catalog	Name
32507-45	Sulfolane
466633-01	Sulfolane-d8
80555813-1kg	Sulfolane (Tetramethylene sulfone)
289343-01	Sulfolane discontinued. See 466632
N10220-01	Nitronium tetrafluoroborate 0.5M Soln. in sulfolane

Sulfolane

Chemical Information

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