chempirical

Dimethyl sulfate

C2H6O4SCAS 77-78-1126.13 g/mol

Open in Covalent MOL file
OSOOO

Properties

Molecular formula
C2H6O4S
Molar mass
126.13 g/mol
Exact mass
125.9987 Da
Density
1.3322 g/mL (at 20 °C)
Melting point
−27 °C
Boiling point
187.5 °C (at 769 Torr)
logP
-0.48Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
77-78-1
SMILES
COS(=O)(=O)OC
InChIKey
VAYGXNSJCAHWJZ-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Sulfuric acid, dimethyl ester
  • Methyl sulfate
  • Dimethyl sulphate
  • NSC 56194

Work with Dimethyl 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

Methyl methanesulfonate66-27-344 % similar Methyl fluorosulfonate421-20-542 % similar Methyl chlorosulfate812-01-142 % similar Methyl ethanesulfonate1912-28-338 % similar Methyl trifluoromethanesulfonate333-27-736 % similar Sodium methyl sulfate512-42-536 % similar Potassium monomethylsulfate562-54-936 % similar Diethyl sulfate64-67-535 % similar

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

Same formula

Isethionic acid107-36-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia