chempirical

1,1′-Thiobis[decane]

C20H42SCAS 693-83-4314.62 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C20H42S
Molar mass
314.62 g/mol
Exact mass
314.3007 Da
Density
0.8527 g/mL (at 20 °C)
Melting point
27–27.5 °C
Boiling point
206 °C (at 8 Torr)
logP
8.00Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
18

Identifiers

CAS number
693-83-4
SMILES
CCCCCCCCCCSCCCCCCCCCC
InChIKey
RKYMVQJWYYOIJB-UHFFFAOYSA-N
InChI
InChI=1S/C20H42S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Decane, 1,1′-thiobis-
  • Decyl sulfide
  • Didecyl sulfide
  • Di-n-decyl sulfide
  • Di-n-decyl thioether
  • NSC 408645
  • Didecyl thioether
  • 1-Decylsulfanyldecane

Work with 1,1′-Thiobis[decane]

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook