chempirical

Dss (nmr standard)

C6H15NaO3SSiCAS 2039-96-5218.32 g/mol

Open in Covalent MOL file
SiSO−OONa+
Sulfonic acid

Properties

Molecular formula
C6H15NaO3SSi
Molar mass
218.32 g/mol
Exact mass
218.0409 Da
logP
1.22Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
2039-96-5
SMILES
C[Si](C)(C)CCCS([O-])(=O)=O.[Na+]
InChIKey
QLIVWVYKSOCMTN-UHFFFAOYSA-N
InChI
InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 1-Propanesulfonic acid, 3-(trimethylsilyl)-, sodium salt (1:1)
  • 1-Propanesulfonic acid, 3-(trimethylsilyl)-, sodium salt
  • Sodium 4,4-dimethyl-4-silapentane-1-sulfonate
  • Sodium 2,2-dimethyl-2-silapentane-5-sulfonate
  • Sodium 2,2′-dimethyl-2-silapentane-5-sulfonate
  • Sodium 3-sulfopropyltrimethylsilane
  • Sodium 3-(trimethylsilyl)propane sulfonate
  • Sodium 4,4-dimethyl-4-silapentanesulfonate
  • 3-Trimethylsilyl-1-propanesulfonic acid sodium salt
  • Sodium 3-(trimethylsilyl)-1-propanesulfonate
  • 2,2-Dimethyl-2-silapentane-5-sulfonic acid sodium salt

Work with Dss (nmr standard)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Disodium butane-1,4-disulfonate36589-61-462 % similar Sodium 1-butanesulfonate2386-54-157 % similar Sodium pentanesulfonate22767-49-355 % similar Disodium 1,2-ethanedisulfonate5325-43-954 % similar Sodium decanesulfonate13419-61-953 % similar Sodium hexadecylsulfonate15015-81-353 % similar Sodium heptanesulfonate22767-50-653 % similar Sodium dodecylsulfonate2386-53-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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