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DABCO-Bis (sulfur dioxide)

CAT: 0013-GTR19246035-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19246035-01Size:50 g
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Description
DABCO-Bis (sulfur dioxide) (DABSO) serves as a source of sulfur dioxide in organic synthesis and is utilized in the preparation of sulfamides and sulfamates.
CAS Number
119752-83-9
Field of Research
Pharmacology & Drug Discovery
Smiles
O=S ([N+]12CC[N+] (CC2) (S ([O-]) =O) CC1) [O-]
Molecular Formula
C6H12N2O4S2
Molecular Weight
240.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,4-Diazabicyclo[2.2.2]octane bis(sulfur dioxide) adduct
CAS Number119752-83-9
PubChem CID75176251
IUPAC Name1,4-diazoniabicyclo[2.2.2]octane-1,4-disulfinate
Molecular FormulaC6H12N2O4S2
Molecular Weight240.3
XLogP-2.1
Topological Polar Surface Area119
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity243
SMILES
C1C[N+]2(CC[N+]1(CC2)S(=O)[O-])S(=O)[O-]
InChI
InChI=1S/C6H12N2O4S2/c9-13(10)7-1-2-8(5-3-7,6-4-7)14(11)12/h1-6H2
InChIKey
RWISEVUOFYXWFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Diazabicyclo[2.2.2]octane bis(sulfur dioxide) adduct
CAS: 119752-83-9
CID: 75176251
Formula: C6H12N2O4S2
MW: 240.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight240.3
XLogP3-2.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass240.02384922
Monoisotopic Mass240.02384922
Topological Polar Surface Area119 Ų
Heavy Atom Count14
Formal Charge0
Complexity243
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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