chempirical

Bis(3-methylbutyl) disulfide

C10H22S2CAS 2051-04-9206.41 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
0.9192 g/mL (at 20 °C)
Boiling point
247 °C
logP
4.46Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 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
2051-04-9
SMILES
CC(C)CCSSCCC(C)C
InChIKey
MPYGLNNTOXLWOB-UHFFFAOYSA-N
InChI
InChI=1S/C10H22S2/c1-9(2)5-7-11-12-8-6-10(3)4/h9-10H,5-8H2,1-4H3

Weigh it out

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

Names and synonyms

9 names
  • Disulfide, bis(3-methylbutyl)
  • Isopentyl disulfide
  • Diisoamyl disulfide
  • Isoamyl disulfide
  • 2,9-Dimethyl-5,6-dithiadecane
  • Diisopentyl disulfide
  • NSC 677439
  • NSC 2362
  • 3-Methyl-1-(3-methylbutyldisulfanyl)butane

Work with Bis(3-methylbutyl) 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

2,5-Dimethylhexane592-13-253 % similar 3-Methyl-1-butanethiol541-31-147 % similar 2,7-Dimethyloctane1072-16-847 % similar Bis(2-methylpropyl) disulfide1518-72-544 % similar 2-Methylpentane107-83-542 % similar 1-Bromo-3-methylbutane107-82-440 % similar 1-Chloro-3-methylbutane107-84-640 % similar Isoamylamine107-85-740 % similar

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

Same formula

Dipentyl disulfide112-51-6 1,10-Decanedithiol1191-67-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook