3-(Trimethylsilyl)-1-propanesulfonic acid-d6 sodium salt

Base Information

• Chemical Name: 3-(Trimethylsilyl)-1-propanesulfonic acid-d6 sodium salt
• CAS No.: 284664-85-3
• Molecular Formula: C6H9D6O3SSi.Na
• Molecular Weight: 224.36
• DSSTox Substance ID: DTXSID80584454
• Nikkaji Number: J3.123.749A
• Wikidata: Q2816662
• Mol file: 284664-85-3.mol

Synonyms:284664-85-3;3-(Trimethylsilyl)-1-propanesulfonic acid-d6 sodium salt;DSS-d6;sodium;1,1,2,2,3,3-hexadeuterio-3-trimethylsilylpropane-1-sulfonate;1-Propane-1,1,2,2,3,3-d6-sulfonic acid, 3-(trimethylsilyl)-, sodium salt (9CI);3-(TRIMETHYLSILYL)-1-PROPANESULFONIC ACI;3-(Trimethylsilyl)-1-propane-1,1,2,2,3,3-d6-sulfonic Acid Sodium Salt;HWEXKRHYVOGVDA-CHBZFOKHSA-M;SCHEMBL6475118;2,2-Dimethyl-2-silapentane-5-sulfonate-d6 sodium salt;DTXSID80584454;AKOS025295055;AT40963;sodium 3-(trimethylsilyl)-1-propanesulfonate-d6;J-017092;Q2816662;Sodium 3-(trimethylsilyl)(~2~H_6_)propane-1-sulfonate;3-(Trimethylsilyl)-1-propanesulfonic acid-d6 sodium salt, 98 atom % D;SODIUM 3-(TRIMETHYLSILYL)PROPANE-1-SULFONATE-1,1,2,2,3,3-D6

Chemical Property of 3-(Trimethylsilyl)-1-propanesulfonic acid-d6 sodium salt

Chemical Property:

• Melting Point: 118-120 °C(lit.)
• PSA: 65.58000
• LogP: 2.34070
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 224.07854680
• Heavy Atom Count: 12
• Complexity: 202

Purity/Quality:

98%; >99% atom D ^*data from raw suppliers

4,4-Dimethyl-4-(silapentane-d6)-1-sulfonicAcid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si](C)(C)CCCS(=O)(=O)[O-].[Na+]
• Isomeric SMILES: [2H]C([2H])(C([2H])([2H])[Si](C)(C)C)C([2H])([2H])S(=O)(=O)[O-].[Na+]
• Uses: In exometabolome analysis using 1H-NMR (nuclear magnetic resonance) spectroscopy, 3-(Trimethylsilyl)-1-propanesulfonic acid-d6 sodium salt has been used as an internal standard for metabolite quantification. It has been used for the preparation of DMSO (dimethyl sulfoxide)/DSS solvent solution to make NMR leaf extract samples.

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