chempirical

n-Butyl sulfate

C4H10O4SCAS 15507-13-8154.18 g/mol

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Properties

Molecular formula
C4H10O4S
Molar mass
154.18 g/mol
Exact mass
154.0300 Da
logP
0.61Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
15507-13-8
SMILES
CCCCOS(=O)(=O)O
InChIKey
ZTHQBROSBNNGPU-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O4S/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H,5,6,7)

Weigh it out

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

Names and synonyms

11 names
  • Butyl hydrogen sulfate
  • Sulfuric acid, monobutyl ester
  • Butyl sulfate (ester)
  • Monobutyl sulfate
  • Butyl sulfuric acid
  • Sulfuricacid, monobutyl ester
  • Sulfobutylether-
  • Butylschwefelsaure
  • Butyl hydrogen sulate
  • Butyl hydrogen sulphate
  • Starbld0004947

Work with n-Butyl 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

Ammonium lauryl sulfate2235-54-375 % similar Ammonium laureth sulfate32612-48-967 % similar Polyoxyethylene lauryl ether sodium sulfate9004-82-467 % similar Triethanolamine lauryl sulfate139-96-862 % similar Butyl methanesulfonate1912-32-954 % similar Ethanolamine-O-sulfate926-39-650 % similar Butyl benzenesulfonate80-44-443 % similar Butanesulfonic acid2386-47-241 % similar

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

Same formula

Diethyl sulfate64-67-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook