Home Chemical Structure Dibutyl sulfone

Chemical Structure of Dibutyl sulfone (C8H18O2S)

Identification of Dibutyl sulfone Chemical Compound

2D chemical structure image of Dibutyl sulfone
Chemical Formula C8H18O2S
Molecular Weight 178.29232 g/mol
IUPAC Name 1-(butane-1-sulfonyl)butane
SMILES String CCCCS(=O)(=O)CCCC
InChI InChI=1S/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3
InChIKey AIDFJGKWTOULTC-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Dibutyl sulfone molecule contains a total of 28 bond(s). There are 10 non-H bond(s), 2 multiple bond(s), 6 rotatable bond(s), 2 double bond(s) and 1 sulfone(s).
Images of the chemical structure of Dibutyl sulfone are given below:

2D chemical structure image of Dibutyl sulfone
2-dimensional (2D) chemical structure image of Dibutyl sulfone
3D chemical structure image of Dibutyl sulfone
3-dimensional (3D) chemical structure image of Dibutyl sulfone

The 2D chemical structure image of Dibutyl sulfone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Dibutyl sulfone are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Dibutyl sulfone is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Dibutyl sulfone.


An Interactive 3-dimensional (3D) Visualization of Dibutyl sulfone

For a better understanding of the chemical structure, an interactive 3D visualization of Dibutyl sulfone is provided here.

The Dibutyl sulfone molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Dibutyl sulfone molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Dibutyl sulfone can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file.


Additional Information for Identifying Dibutyl sulfone Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of Dibutyl sulfone

    The SMILES string of Dibutyl sulfone is CCCCS(=O)(=O)CCCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Dibutyl sulfone.

  • Structure Data File (SDF/MOL File) of Dibutyl sulfone

    The structure data file (SDF/MOL File) of Dibutyl sulfone is available for download in the SDF page of Dibutyl sulfone, which provides the information about the atoms, bonds, connectivity and coordinates of Dibutyl sulfone. The Dibutyl sulfone structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of Dibutyl sulfone

    The molecular formula of Dibutyl sulfone is available in chemical formula page of Dibutyl sulfone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of Dibutyl sulfone

    The molecular weight of Dibutyl sulfone is available in molecular weight page of Dibutyl sulfone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

  • Other names (synonyms) or registry numbers of Dibutyl sulfone

    The Dibutyl sulfone compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Dibutyl sulfone including the various registry numbers, if available:

    • Dibutyl sulfone
    • Butyl sulfone
    • 598-04-9
    • Butane, 1,1'-sulfonylbis-
    • Di-n-butyl sulfone
    • Dibutyl sulphone
    • 1-(Butylsulfonyl)butane
    • (butylsulfonyl)butane
    • dibutylsulfone
    • C8H18O2S
    • n-Butyl sulfone
    • Di-n-butylsulfone
    • 1-butylsulfonylbutane
    • Butyl sulfone, 99%
    • Butyl sulfone (8CI)
    • Butane,1'-sulfonylbis-
    • 1,1'-Sulphonylbisbutane
    • Butane,1,1'-sulfonylbis-
    • ANW-33354
    • MFCD00007571
    • M740
    • C-31107
    • I14-101758
    • AR-1I4063

Dibutyl sulfone Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of Dibutyl sulfone?

    C8H18O2S
  • How many atoms and what are the elements included the Dibutyl sulfone molecule?

    29 atom(s) – 18 Hydrogen atom(s), 8 Carbon atom(s), 2 Oxygen atom(s) and 1 Sulfur atom(s)
  • How many chemical bonds and what kind of bonds are included the Dibutyl sulfone structure?

    28 bond(s) – 10 non-H bond(s), 2 multiple bond(s), 6 rotatable bond(s), 2 double bond(s) and 1 sulfone(s)
  • What’s the Dibutyl sulfone’s molecular weight?

    178.29232 g/mol
  • What’s the SMILES code of Dibutyl sulfone?

    CCCCS(=O)(=O)CCCC
  • What’s the InChI string of Dibutyl sulfone?

    InChI=1S/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3
  • What’s the InChIKey code of Dibutyl sulfone?

    AIDFJGKWTOULTC-UHFFFAOYSA-N

14 The contents of this page can freely be shared if cited as follows:
Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.