chempirical

Butyl disulfide

C8H18S2CAS 629-45-8178.35 g/mol

Open in Covalent MOL file
SS
Disulfide

Properties

Molecular formula
C8H18S2
Molar mass
178.35 g/mol
Exact mass
178.0850 Da
Density
0.93 g/mL (at 20 °C)
Melting point
94.04 °C
Boiling point
117 °C
logP
3.97Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
629-45-8
SMILES
CCCCSSCCCC
InChIKey
CUDSBWGCGSUXDB-UHFFFAOYSA-N
InChI
InChI=1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Disulfide, dibutyl
  • Dibutyl disulfide
  • Di-n-butyl disulfide
  • 5,6-Dithiadecane
  • n-Butyl disulfide
  • NSC 36626
  • 1,2-Dibutyldisulfane
  • 1-(Butyldisulfanyl)butane

Work with Butyl 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

Dipentyl disulfide112-51-680 % similar Didecyl disulfide10496-18-175 % similar Dioctadecyl disulfide2500-88-175 % similar Dibutyl sulfide544-40-163 % similar Dipropyl disulfide629-19-660 % similar Butyl methyl sulfide628-29-556 % similar Pentane109-66-050 % similar Hexane110-54-350 % similar

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

Same formula

tert-Butyl disulfide110-06-5 1,8-Octanedithiol1191-62-4 Bis(2-methylpropyl) disulfide1518-72-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook