chempirical

Dioctyl sulfide

C16H34SCAS 2690-08-6258.51 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C16H34S
Molar mass
258.51 g/mol
Exact mass
258.2381 Da
Density
0.8442 g/mL (at 20 °C)
Boiling point
180 °C (at 10 Torr)
logP
6.44Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
14

Identifiers

CAS number
2690-08-6
SMILES
CCCCCCCCSCCCCCCCC
InChIKey
LOXRGHGHQYWXJK-UHFFFAOYSA-N
InChI
InChI=1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Octane, 1,1′-thiobis-
  • Octyl sulfide
  • 1,1′-Thiobis[octane]
  • Dioctyl thioether
  • Di-n-octyl sulfide
  • Bis(1-octyl) sulfide
  • Di-n-octyl thioether
  • 1-(1-Octylthio)octane
  • NSC 65459
  • 1-Octylsulfanyloctane

Work with Dioctyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dodecyl sulfide2469-45-6100 % similar 1-(Hexadecylthio)hexadecane3312-77-4100 % similar Diheptyl sulfide629-65-2100 % similar Dihexyl sulfide6294-31-1100 % similar 1,1′-Thiobis[decane]693-83-4100 % similar Pentyl sulfide872-10-693 % similar Dibutyl sulfide544-40-175 % similar Didecyl disulfide10496-18-167 % similar

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

Same formula

Hexadecanethiol2917-26-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook