tert-Butyl disulfide
Properties
- Molecular formula
- C8H18S2
- Molar mass
- 178.35 g/mol
- Exact mass
- 178.0850 Da
- Density
- 0.9229 g/mL (at 20 °C)
- Melting point
- −5 °C
- Boiling point
- 72 °C
- logP
- 3.96Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H227 Combustible liquid18% of notifiers
- H304 May be fatal if swallowed and enters airways18% of notifiers
- H319 Causes serious eye irritation18% of notifiers
- H320 Causes eye irritation16.4% of notifiers
- H335 May cause respiratory irritation16.4% of notifiers
- H336 May cause drowsiness or dizziness31.1% of notifiers
- H411 Toxic to aquatic life with long lasting effects68.9% of notifiers
Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P261, P264+P265, P271, P273, P280, P301+P316, P304+P340, P305+P351+P338, P319, P331, P337+P317, P370+P378, P391, P403, P403+P233, P405, P501
Identifiers
CAS number
110-06-5SMILES
CC(C)(C)SSC(C)(C)CInChIKey
BKCNDTDWDGQHSD-UHFFFAOYSA-NInChI
InChI=1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Disulfide, bis(1,1-dimethylethyl)
- Bis(1,1-dimethylethyl) disulfide
- Di-tert-butyl disulfide
- 2,2,5,5-Tetramethyl-3,4-dithiahexane
- Bis(tert-butyl)disulfide
- NSC 677434
- 2-(tert-Butyldisulfanyl)-2-methylpropane
Work with tert-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
tert-Butyl sulfide107-47-150 % similar
1,2,4,5-Tetrakis(tert-butylthio)benzene447463-65-233 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds