chempirical

Sulfoxide

C18H28O3SCAS 120-62-7324.48 g/mol

Open in Covalent MOL file
SOOO
AcetalEtherSulfoxide

Properties

Molecular formula
C18H28O3S
Molar mass
324.48 g/mol
Exact mass
324.1759 Da
Density
1.06–1.09 g/mL (at 25 °C)
logP
4.46Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
10

Identifiers

CAS number
120-62-7
SMILES
CCCCCCCCS(=O)C(C)Cc1ccc2c(c1)OCO2
InChIKey
ATTZFSUZZUNHBP-UHFFFAOYSA-N
InChI
InChI=1S/C18H28O3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17/h9-10,13,15H,3-8,11-12,14H2,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • 1,3-Benzodioxole, 5-[2-(octylsulfinyl)propyl]-
  • Benzene, 1,2-(methylenedioxy)-4-[2-(octylsulfinyl)propyl]-
  • 5-[2-(Octylsulfinyl)propyl]-1,3-benzodioxole
  • 1,2-(Methylenedioxy)-4-[2-(octylsulfinyl)propyl]benzene
  • 1-Methyl-2-(3,4-methylenedioxyphenyl)ethyl octyl sulfoxide
  • Sulfox-cide
  • Isosafrole octyl sulfoxide
  • Sulfoxide (synergist)
  • Piperonyl sulfoxide
  • Piperonyl sulfoxide (insecticide)
  • NSC 8400

Work with Sulfoxide

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

Helional1205-17-045 % similar MDMA42542-10-943 % similar 3,4-Methylenedioxyphenylpropan-2-one4676-39-539 % similar Macelignan107534-93-039 % similar Piperonyl alcohol495-76-138 % similar Piperonyl isobutyrate5461-08-538 % similar Piperonyl acetate326-61-438 % similar Dulcinyl55418-52-538 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook