Molecular Weight of Dibutyl sulfone (C8H18O2S)
Identification of Dibutyl sulfone Chemical Compound
| 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 |
Molecular Weight Description
The Dibutyl sulfone molecule consists of 18 Hydrogen atom(s), 8 Carbon atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s) - a total of 29 atom(s). The molecular weight of Dibutyl sulfone is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 178.29232 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Dibutyl sulfone Molecule
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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 on atoms, bonds, connectivity and coordinates of Dibutyl sulfone. The Dibutyl sulfone structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Dibutyl sulfone
The molecular structure image of Dibutyl sulfone is available in chemical structure page of Dibutyl sulfone, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Dibutyl sulfone and the chemical bonds that hold the atoms together.
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Chemical formula of Dibutyl sulfone
The molecular 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.
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InChI (IUPAC International Chemical Identifier) information of Dibutyl sulfone
In addition to the molecular weight information, the structural information of Dibutyl sulfone in a textual expression is available via InChi. The full standard InChI of Dibutyl sulfone is given below:
InChI=1S/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3
It can provide a 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
It may allow easier web searches for Dibutyl sulfone. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Dibutyl sulfone as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Dibutyl sulfone
There may be different names of the Dibutyl sulfone compound depending on the various situations of industrial applications, which are given below including the 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
Dibutyl sulfone Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Dibutyl sulfone? |
|---|
| C8H18O2S |
| How many atoms and what are the elements 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 types 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 molar mass of Dibutyl sulfone? |
| 178.29232 g/mol |
| What’s the SMILES format of Dibutyl sulfone? |
| CCCCS(=O)(=O)CCCC |
| What’s the InChI format 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 string of Dibutyl sulfone? |
| AIDFJGKWTOULTC-UHFFFAOYSA-N |
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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).