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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
512-42-5
SMILES
COS([O-])(=O)=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Basic blue 4112270-13-2Salt Proserine51-60-5Salt Basic yellow 2854060-92-3Salt Diphemanil methyl sulfate62-97-5Salt Phenazine methosulfate299-11-6Salt 1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2)2074-50-2Salt Behentrimonium methosulfate81646-13-1Salt 1-Methoxyphenazine methosulfate65162-13-2Salt Amezinium metilsulfate30578-37-1Salt Potassium monomethylsulfate562-54-9Salt Tiemonium methosulfate6504-57-0Salt Quinolinium, 6-ethoxy-1-methyl-2-[2-(3-nitrophenyl)ethenyl]-, methyl sulfate (1:1)25910-85-4Salt

Similar compounds

Sodium pyrosulfate13870-29-657 % similar Sodium persulfate7775-27-157 % similar Sodium cetyl sulfate1120-01-041 % similar Sodium tetradecyl sulfate1191-50-041 % similar Sodium octyl sulfate142-31-441 % similar Sodium decyl sulfate142-87-041 % similar Sodium dodecyl sulfate151-21-341 % similar Sodium methanesulfonate2386-57-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium hydroxymethanesulfonate870-72-4

Elsewhere

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