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Dimethyl sulfone-d6

CAT: 0804-HY-Y1314S-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y1314S-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dimethyl sulfone-d6 is the deuterium labeled Dimethyl sulfone. Dimethyl sulfone is an endogenous metabolite.
CAS Number
22230-82-6
UNSPSC
12352100
Hazard Statement
H302-H315-H319-H335
Target
Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Metabolic Disease
Solubility
10 mM in DMSO
Smiles
O=S(C([2H])([2H])[2H])(C([2H])([2H])[2H])=O
Molecular Formula
C2D6O2S
Molecular Weight
100.17
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Dimethyl-D6 sulfone
CAS Number22230-82-6
PubChem CID16213553
IUPAC Nametrideuterio(trideuteriomethylsulfonyl)methane
Molecular FormulaC2H6O2S
Molecular Weight100.17
XLogP-0.4
Topological Polar Surface Area42.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity85
SMILES
[2H]C([2H])([2H])S(=O)(=O)C([2H])([2H])[2H]
InChI
InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3/i1D3,2D3
InChIKey
HHVIBTZHLRERCL-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl-D6 sulfone
CAS: 22230-82-6
CID: 16213553
Formula: C2H6O2S
MW: 100.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight100.17
XLogP3-0.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass100.04651108
Monoisotopic Mass100.04651108
Topological Polar Surface Area42.5 Ų
Heavy Atom Count5
Formal Charge0
Complexity85.3
Isotope Atom Count6
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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CatalogName
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281744-01Dimethyl Sulfone
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RM-P052032-01Pentoxifylline-D6 (Dimethyl-D6)
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