chempirical

Pentyl sulfide

C10H22SCAS 872-10-6174.35 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C10H22S
Molar mass
174.35 g/mol
Exact mass
174.1442 Da
Density
0.8554 g/mL (at 0 °C)
Melting point
−51.3 °C
Boiling point
230.1 °C
logP
4.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
8

Identifiers

CAS number
872-10-6
SMILES
CCCCCSCCCCC
InChIKey
JOZDADPMWLVEJK-UHFFFAOYSA-N
InChI
InChI=1S/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Pentane, 1-(pentylthio)-
  • Pentane, 1,1′-thiobis-
  • 1-(Pentylthio)pentane
  • Amyl sulfide
  • Di-n-pentyl sulfide
  • 6-Thiaundecane
  • Diamyl sulfide
  • Dipentyl sulfide
  • Dipentyl thioether
  • 1-Pentylsulfanylpentane

Work with Pentyl 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

Dodecyl sulfide2469-45-693 % similar Dioctyl sulfide2690-08-693 % similar 1-(Hexadecylthio)hexadecane3312-77-493 % similar Diheptyl sulfide629-65-293 % similar Dihexyl sulfide6294-31-193 % similar 1,1′-Thiobis[decane]693-83-493 % similar Dibutyl sulfide544-40-180 % similar Dipentyl disulfide112-51-665 % similar

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

Same formula

1-Decanethiol143-10-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook