Structure & Deep Data of Dibutyl sulfone (C8H18O2S)

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:

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. Download structure data file (SDF/MOL) file of this compound.

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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:

  • AR-1I4063
  • I14-101758
  • C-31107
  • M740
  • MFCD00007571
  • ANW-33354
  • Butane,1,1'-sulfonylbis-
  • 1,1'-Sulphonylbisbutane
  • Butane,1'-sulfonylbis-
  • Butyl sulfone (8CI)

  • Butyl sulfone, 99%
  • 1-butylsulfonylbutane
  • Di-n-butylsulfone
  • n-Butyl sulfone
  • C8H18O2S
  • dibutylsulfone
  • (butylsulfonyl)butane
  • 1-(Butylsulfonyl)butane
  • Dibutyl sulphone
  • Di-n-butyl sulfone

  • Butane, 1,1'-sulfonylbis-
  • 598-04-9
  • Butyl sulfone
  • Dibutyl sulfone

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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

127 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).