chempirical

Bis(2-methylpropyl) disulfide

C8H18S2CAS 1518-72-5178.35 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
0.909 g/mL (at 20 °C)
Boiling point
215 °C (at 767 Torr)
logP
3.68Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
1518-72-5
SMILES
CC(C)CSSCC(C)C
InChIKey
ONJROLGQWMBXAP-UHFFFAOYSA-N
InChI
InChI=1S/C8H18S2/c1-7(2)5-9-10-6-8(3)4/h7-8H,5-6H2,1-4H3

Weigh it out

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

Names and synonyms

7 names
  • Disulfide, bis(2-methylpropyl)
  • Isobutyl disulfide
  • Diisobutyl disulfide
  • 2,7-Dimethyl-4,5-dithiaoctane
  • Di(2-methylpropyl) disulfide
  • 2-Methyl-1-[(2-methylpropyl)disulfanyl]propane
  • 2-Methyl-1-(2-methylpropyldisulfanyl)propane

Work with Bis(2-methylpropyl) 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(3-methylbutyl) disulfide2051-04-944 % similar 2,4-Dimethylpentane108-08-740 % similar 2,5-Dimethylhexane592-13-240 % similar 2,7-Dimethyloctane1072-16-835 % similar Isopentane78-78-435 % similar 4-Methyl-1-pentene691-37-235 % similar Triisobutylaluminium100-99-233 % similar Propylene sulfide1072-43-133 % 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 Butyl disulfide629-45-8

Elsewhere

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