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CAS Number

34604-52-9

Chemical Information

Diethylene Glycol Dimethanesulfonate

CAS Number	34604-52-9
PubChem CID	147571
IUPAC Name	2-(2-methylsulfonyloxyethoxy)ethyl methanesulfonate
Molecular Formula	C6H14O7S2
Molecular Weight	262.3
XLogP	-1.1
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	15
Formal Charge	0
Complexity	308

SMILES

CS(=O)(=O)OCCOCCOS(=O)(=O)C

InChI

InChI=1S/C6H14O7S2/c1-14(7,8)12-5-3-11-4-6-13-15(2,9)10/h3-6H2,1-2H3

InChIKey

CEGQKEWSEGCYRS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34604-52-9

CID: 147571

Formula: C6H14O7S2

MW: 262.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.3
XLogP3	-1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	262.01809513
Monoisotopic Mass	262.01809513
Topological Polar Surface Area	113 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	308
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