chempirical

Sodium methyl sulfate

CH3NaO4SCAS 512-42-5134.08 g/mol

Open in Covalent MOL file
OSO−OONa+

Properties

Molecular formula
CH3NaO4S
Molar mass
134.08 g/mol
Exact mass
133.9650 Da
logP
-0.95Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
512-42-5
SMILES
COS([O-])(=O)=O.[Na+]
InChIKey
VJWFFRAUKLEPHS-UHFFFAOYSA-N
InChI
InChI=1S/CH4O4S.Na/c1-5-6(2,3)4;/h1H3,(H,2,3,4);

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

Names and synonyms

5 names
  • Sulfuric acid, monomethyl ester, sodium salt (1:1)
  • Sulfuric acid, monomethyl ester, sodium salt
  • Methyl sodium sulfate
  • Sodium monomethylsulfate
  • Methyl sulfate sodium salt

Work with Sodium methyl sulfate

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

Potassium monomethylsulfate562-54-971 % similar Sodium pyrosulfate13870-29-657 % similar Sodium persulfate7775-27-157 % similar 1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2)2074-50-248 % similar Behenyltrimethylammonium methosulfate81646-13-144 % similar Sodium cetyl sulfate1120-01-041 % similar Sodium tetradecyl sulfate1191-50-041 % similar Sodium octyl sulfate142-31-441 % similar

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

Same formula

Sodium hydroxymethanesulfonate870-72-4

Elsewhere

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