Dodecyl sulfide

C24H50SCAS 2469-45-6370.72 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C24H50S
Molar mass
370.72 g/mol
Exact mass
370.3633 Da
Melting point
40 °C
logP
9.56Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
22

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
2469-45-6
SMILES
CCCCCCCCCCCCSCCCCCCCCCCCC
InChIKey
UPYPTOCXMIWHSG-UHFFFAOYSA-N
InChI
InChI=1S/C24H50S/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Dodecane, 1,1′-thiobis-
  • 1,1′-Thiobis[dodecane]
  • Didodecyl sulfide
  • Dilauryl sulfide
  • n-Dodecyl sulfide
  • Bis(n-dodecyl) sulfide
  • Bis(dodecyl) sulfide
  • Di-n-dodecyl sulfide
  • NSC 12039
  • 1-Dodecylsulfanyldodecane

Work with Dodecyl 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

Dioctyl sulfide2690-08-6100 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook