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Sodium Methanesulfonate-d3

CAT: 0572-TRC-S143270-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S143270-25MGSize:25 mg
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CAS Number
2129597-38-0
Synonyms
Methane-d3-sulfinic acid, sodium salt (1:1) (ACI); Sodium methane-d3-sulfinate; Sodium methylsulfinate-d3; Methane-d3-sulfinic acid sodium salt; Sodium methanesulfinate-D3
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[Na+].[2H]C([2H])([2H])S(=O)[O-]
Molecular Formula
C D3 O2 S . Na
Molecular Weight
105.1066
InChI
InChI=1S/CH4O2S.Na/c1-4(2)3;/h1H3,(H,2,3);/q;+1/p-1/i1D3;
Additionnal Information
IUPAC name: sodium;trideuteriomethanesulfinate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Sodium methanesulfinate-d3
CAS Number2129597-38-0
PubChem CID141484917
IUPAC Namesodium trideuteriomethanesulfinate
Molecular FormulaCH3NaO2S
Molecular Weight105.11
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity36
SMILES
[2H]C([2H])([2H])S(=O)[O-].[Na+]
InChI
InChI=1S/CH4O2S.Na/c1-4(2)3;/h1H3,(H,2,3);/q;+1/p-1/i1D3;
InChIKey
LYPGDCWPTHTUDO-NIIDSAIPSA-M
Chemical Structure
2D Structure
2D structure of Sodium methanesulfinate-d3
CAS: 2129597-38-0
CID: 141484917
Formula: CH3NaO2S
MW: 105.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight105.11
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass104.99397503
Monoisotopic Mass104.99397503
Topological Polar Surface Area59.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity36.6
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes