chempirical

1-(Hexadecylthio)hexadecane

C32H66SCAS 3312-77-4482.94 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C32H66S
Molar mass
482.94 g/mol
Exact mass
482.4885 Da
Melting point
62 °C
logP
12.68Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
30

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3312-77-4
SMILES
CCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCC
InChIKey
OILQNNHOQFRDJH-UHFFFAOYSA-N
InChI
InChI=1S/C32H66S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Hexadecane, 1-(hexadecylthio)-
  • Hexadecyl sulfide
  • Hexadecane, 1,1′-thiobis-
  • Dihexadecyl sulfide
  • Di-n-hexadecyl sulfide
  • Dicetyl sulfide
  • NSC 12044
  • Dihexadecyl sulphide

Work with 1-(Hexadecylthio)hexadecane

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 Dioctyl sulfide2690-08-6100 % 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