chempirical

Dibutyl sulfide

C8H18SCAS 544-40-1146.29 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C8H18S
Molar mass
146.29 g/mol
Exact mass
146.1129 Da
Density
0.8334 g/mL (at 20 °C)
Melting point
−79.7 °C
Boiling point
185 °C
logP
3.32Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Identifiers

CAS number
544-40-1
SMILES
CCCCSCCCC
InChIKey
HTIRHQRTDBPHNZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Butane, 1,1′-thiobis-
  • Butyl sulfide
  • 1,1′-Thiobis[butane]
  • n-Butyl sulfide
  • Butylthiobutane
  • 5-Thianonane
  • Thiononane-5
  • n-Dibutyl sulfide
  • Butyl monosulfide
  • Dibutyl thioether
  • Di-n-butyl sulfide
  • Di-n-butyl thioether
  • NSC 8460
  • 1-Butylsulfanylbutane

Work with Dibutyl sulfide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pentyl sulfide872-10-680 % similar Dodecyl sulfide2469-45-675 % similar Dioctyl sulfide2690-08-675 % similar 1-(Hexadecylthio)hexadecane3312-77-475 % similar Diheptyl sulfide629-65-275 % similar 1,1′-Thiobis[decane]693-83-475 % similar Propyl sulfide111-47-760 % similar Butyl methyl sulfide628-29-556 % similar

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

Same formula

tert-Butyl sulfide107-47-1 1-Octanethiol111-88-6 2-Ethyl-1-hexanethiol7341-17-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook