Download Structure Data File(SDF/Mol File) 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of Dibutyl sulfone is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Dibutyl sulfone molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

Ball-and-stick model of Dibutyl sulfone
Ball-and-stick model of Dibutyl sulfone

Additional Information for Identifying Dibutyl sulfone Molecule

  • Chemical structure of Dibutyl sulfone

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Dibutyl sulfone is available in chemical structure page of Dibutyl sulfone, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • 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 masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of Dibutyl sulfone

    The chemical formula of Dibutyl sulfone is given 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.

  • InChI (IUPAC International Chemical Identifier) information of Dibutyl sulfone

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of Dibutyl sulfone is:

    InChI=1S/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3

    It can provide a standard way to encode the molecular information of Dibutyl sulfone to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Dibutyl sulfone is:

    InChIKey=AIDFJGKWTOULTC-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for Dibutyl sulfone, but it needs to be linked to the full InChI to get back to the original structure of the Dibutyl sulfone since the full standard InChI cannot be reconstructed from the InChIKey.

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

    The Dibutyl sulfone compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Dibutyl sulfone including the registry numbers are listed below, 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 Dibutyl sulfone formula?

    C8H18O2S
  • How many atoms and what elements are included in 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 in 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 molar mass?

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

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

    AIDFJGKWTOULTC-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.