Dioctyl sulfide

C₁₆H₃₄SCAS 2690-08-6258.51 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₃₄S
Molar mass: 258.51 g/mol
Exact mass: 258.2381 Da
Density: 0.8442 g/mL (at 20 °C)
Boiling point: 180 °C (at 10 Torr)
logP: 6.44Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 14

Hazards

Danger

H318 Causes serious eye damage72.2% of notifiers
H319 Causes serious eye irritation24.1% of notifiers
H412 Harmful to aquatic life with long lasting effects14.8% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317, P501

Identifiers

CAS number

2690-08-6

SMILES

CCCCCCCCSCCCCCCCC

InChIKey

LOXRGHGHQYWXJK-UHFFFAOYSA-N

InChI

InChI=1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

Octane, 1,1′-thiobis-
Octyl sulfide
1,1′-Thiobis[octane]
Dioctyl thioether
Di-n-octyl sulfide
Bis(1-octyl) sulfide
Di-n-octyl thioether
1-(1-Octylthio)octane
NSC 65459
1-Octylsulfanyloctane

Work with Dioctyl sulfide

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

Dodecyl sulfide2469-45-6100 % similar 1-(Hexadecylthio)hexadecane3312-77-4100 % similar 1,1′-Thiobis[heptane]629-65-2100 % similar Dihexyl sulfide6294-31-1100 % similar 1,1′-Thiobis[decane]693-83-4100 % similar Pentyl sulfide872-10-693 % similar Dibutyl sulfide544-40-175 % similar Didecyl disulfide10496-18-167 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Hexadecanethiol2917-26-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook