1,1′-Thiobis[decane]

C20H42SCAS 693-83-4314.62 g/mol

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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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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

Names and synonyms

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

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

Similar compounds

Dodecyl sulfide2469-45-6100 % similar Dioctyl sulfide2690-08-6100 % similar 1-(Hexadecylthio)hexadecane3312-77-4100 % similar 1,1′-Thiobis[heptane]629-65-2100 % similar Dihexyl sulfide6294-31-1100 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook