chempirical

Dipentyl disulfide

C10H22S2CAS 112-51-6206.41 g/mol

Open in Covalent MOL file
SS
Disulfide

Properties

Molecular formula
C10H22S2
Molar mass
206.41 g/mol
Exact mass
206.1163 Da
Density
0.9221 g/mL (at 20 °C)
Melting point
127–130 °C
Boiling point
119 °C
logP
4.75Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
112-51-6
SMILES
CCCCCSSCCCCC
InChIKey
YSQZSPCQDXHJDJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H22S2/c1-3-5-7-9-11-12-10-8-6-4-2/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
  • Disulfide, dipentyl
  • Pentyl disulfide
  • Diamyl disulfide
  • Bis(1-pentyl) disulfide
  • 6,7-Dithiadodecane
  • n-Amyl disulfide
  • n-Pentanedisulfide
  • Di-n-amyl disulfide
  • Di-n-pentyl disulfide
  • 1-(Pentyldisulfanyl)pentane

Work with Dipentyl disulfide

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

Didecyl disulfide10496-18-193 % similar Dioctadecyl disulfide2500-88-193 % similar Butyl disulfide629-45-880 % similar Pentyl sulfide872-10-665 % similar Dodecyl sulfide2469-45-661 % similar Dioctyl sulfide2690-08-661 % similar 1-(Hexadecylthio)hexadecane3312-77-461 % similar 1,1′-Thiobis[heptane]629-65-261 % similar

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

Same formula

1,10-Decanedithiol1191-67-9 Bis(3-methylbutyl) disulfide2051-04-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook