Molecular Weight of Methyl n-octyl sulfide (C9H20S)
Identification of Methyl n-octyl sulfide Chemical Compound
| Chemical Formula | C9H20S |
|---|---|
| Molecular Weight | 160.3201 g/mol |
| IUPAC Name | 1-(methylsulfanyl)octane |
| SMILES String | CCCCCCCCSC |
| InChI | InChI=1S/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3 |
| InChIKey | AHCJTMBRROLNHV-UHFFFAOYSA-N |
Molecular Weight Description
The Methyl n-octyl sulfide molecule consists of 20 Hydrogen atom(s), 9 Carbon atom(s), and 1 Sulfur atom(s) - a total of 30 atom(s). The molecular weight of Methyl n-octyl sulfide is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 160.3201 · \frac{g}{mol} $$
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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Methyl n-octyl sulfide Molecule
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Structure Data File (SDF/MOL File) of Methyl n-octyl sulfide
The structure data file (SDF/MOL File) of Methyl n-octyl sulfide is available for download in the SDF page of Methyl n-octyl sulfide, which provides the information on atoms, bonds, connectivity and coordinates of Methyl n-octyl sulfide. The Methyl n-octyl sulfide 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 Methyl n-octyl sulfide
The molecular structure image of Methyl n-octyl sulfide is available in chemical structure page of Methyl n-octyl sulfide, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Methyl n-octyl sulfide and the chemical bonds that hold the atoms together.
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Chemical formula of Methyl n-octyl sulfide
The molecular formula of Methyl n-octyl sulfide is given in chemical formula page of Methyl n-octyl sulfide, 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 Methyl n-octyl sulfide
In addition to the molecular weight information, the structural information of Methyl n-octyl sulfide in a textual expression is available via InChi. The full standard InChI of Methyl n-octyl sulfide is given below:
InChI=1S/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3
It can provide a way to encode the molecular information of Methyl n-octyl sulfide 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 Methyl n-octyl sulfide is:
InChIKey=AHCJTMBRROLNHV-UHFFFAOYSA-N
It may allow easier web searches for Methyl n-octyl sulfide. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Methyl n-octyl sulfide as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Methyl n-octyl sulfide
There may be different names of the Methyl n-octyl sulfide compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- AR-1J6085
- I09-0151
- M0379
- 1-(Methylsulfanyl)octane, AldrichCPR
- MFCD00039990
- ANW-28539
- L68L019D9G
- 1-(Methylsulfanyl)octane #
- n-octyl methyl sulfide
- Octyl methyl sulfide
- 2-Thiadecane
- methylthio-octane
- Methyl octyl sulphide
- 1-methylsulfanyloctane
- Methyln-octylsulfide
- Octane, 1-(methylthio)-
- 3698-95-1
- methyl octyl sulfide
- Methyl n-octyl sulfide
- C-51288
Methyl n-octyl sulfide Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Methyl n-octyl sulfide? |
|---|
| C9H20S |
| How many atoms and what are the elements in the Methyl n-octyl sulfide molecule? |
| 30 atom(s) - 20 Hydrogen atom(s), 9 Carbon atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what types of bonds are in the Methyl n-octyl sulfide structure? |
| 29 bond(s) - 9 non-H bond(s), 7 rotatable bond(s), and 1 sulfide(s) |
| What’s the molar mass of Methyl n-octyl sulfide? |
| 160.3201 g/mol |
| What’s the SMILES format of Methyl n-octyl sulfide? |
| CCCCCCCCSC |
| What’s the InChI format of Methyl n-octyl sulfide? |
| InChI=1S/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3 |
| What’s the InChIKey string of Methyl n-octyl sulfide? |
| AHCJTMBRROLNHV-UHFFFAOYSA-N |
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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).