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Mesna-d4 (contain disulfide)

CAT: 0572-TRC-M225752-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M225752-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189479-73-9
Hazard Statement
May be harmful if swallowed.
Smiles
[2H]C([2H])(S)C([2H])([2H])S(=O)(=O)O[Na]
Molecular Formula
C2 D4 H Na O3 S2
Molecular Weight
168.204
InChI
InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1/i1D2,2D2;
Additionnal Information
IUPAC name: (1,1,2,2-tetradeuterio-2-sulfanylethyl)sulfonyloxysodium
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Mesna-d4 (may contain up to 10% disulfide)
CAS Number1189479-73-9
PubChem CID45039698
IUPAC Namesodium 1,1,2,2-tetradeuterio-2-sulfanylethanesulfonate
Molecular FormulaC2H5NaO3S2
Molecular Weight168.21
Topological Polar Surface Area66.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity123
SMILES
[2H]C([2H])(C([2H])([2H])S(=O)(=O)[O-])S.[Na+]
InChI
InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1/i1D2,2D2;
InChIKey
XOGTZOOQQBDUSI-PBCJVBLFSA-M
Chemical Structure
2D Structure
2D structure of Mesna-d4 (may contain up to 10% disulfide)
CAS: 1189479-73-9
CID: 45039698
Formula: C2H5NaO3S2
MW: 168.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.21
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass167.98288763
Monoisotopic Mass167.98288763
Topological Polar Surface Area66.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity123
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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sc-218698AMesna-d4 (may contain up to 10% disulfide)
M3005-45Mesna-d4 (may contain up to 10% disulfide) (Sodium 2-Mercaptoethanesulfonate-d4)
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