Structure & Deep Data of Methyl sulfate (CH4O4S)
Identification of Methyl sulfate Chemical Compound
| Chemical Formula | CH4O4S |
|---|---|
| Molecular Weight | 112.10506 g/mol |
| IUPAC Name | methoxysulfonic acid |
| SMILES String | COS(O)(=O)=O |
| InChI | InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4) |
| InChIKey | JZMJDSHXVKJFKW-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 Methyl sulfate molecule contains a total of 9 bond(s). There are 5 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 1 hydroxyl group(s), and 1 sulfuric (thio-/dithio-) acid(s). Images of the chemical structure of Methyl sulfate are given below:
The 2D chemical structure image of Methyl sulfate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Methyl sulfate 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 Methyl sulfate 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 Methyl sulfate. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Methyl sulfate is provided here.
The Methyl sulfate 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 Methyl sulfate 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 Methyl sulfate 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 an image file.
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- Name: ethanol
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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 Methyl sulfate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Methyl sulfate
The SMILES string of Methyl sulfate is COS(O)(=O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Methyl sulfate.
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Structure Data File (SDF/MOL File) of Methyl sulfate
The structure data file (SDF/MOL File) of Methyl sulfate is available for download in the SDF page of Methyl sulfate, which provides the information about the atoms, bonds, connectivity and coordinates of Methyl sulfate. The Methyl sulfate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Methyl sulfate
The molecular formula of Methyl sulfate is available in chemical formula page of Methyl sulfate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of Methyl sulfate
The molecular weight of Methyl sulfate is available in molecular weight page of Methyl sulfate, 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.
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Other names (synonyms) or registry numbers of Methyl sulfate
The Methyl sulfate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Methyl sulfate including the various registry numbers, if available:
- AR-1J6163
- 512-42-5 (hydrochloride salt)
- 562-54-9 (potassium salt)
- R24I7CLU7K
- Sulfuric acid methyl ester
- monomethyl sulfuric acid
- Methyl bisulfate
- Methyl hydrogen sulphate
- methyl sulfate(van)
- Sulfuric acid, monomethyl ester
- 75-93-4
- Methylsulfuric acid
- MONOMETHYL SULFATE
- methyl hydrogen sulfate
- Methyl sulfate
- 159457-40-6
- 19803-43-1 (ammonium salt)
Methyl sulfate Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Methyl sulfate? |
|---|
| CH4O4S |
| How many atoms and what are the elements included the Methyl sulfate molecule? |
| 10 atom(s) - 4 Hydrogen atom(s), 1 Carbon atom(s), 4 Oxygen atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what kind of bonds are included the Methyl sulfate structure? |
| 9 bond(s) - 5 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 1 hydroxyl group(s), and 1 sulfuric (thio-/dithio-) acid(s) |
| What’s the Methyl sulfate’s molecular weight? |
| 112.10506 g/mol |
| What’s the SMILES code of Methyl sulfate? |
| COS(O)(=O)=O |
| What’s the InChI string of Methyl sulfate? |
| InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4) |
| What’s the InChIKey code of Methyl sulfate? |
| JZMJDSHXVKJFKW-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).