Structure & Deep Data of Diamyl Sulfate (C10H22O4S)
Identification of Diamyl Sulfate Chemical Compound
| Chemical Formula | C10H22O4S |
|---|---|
| Molecular Weight | 238.34428 g/mol |
| IUPAC Name | dipentyl sulfate |
| SMILES String | CCCCCOS(=O)(=O)OCCCCC |
| InChI | InChI=1S/C10H22O4S/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3 |
| InChIKey | GAFRWLVTHPVQGK-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 Diamyl Sulfate molecule contains a total of 36 bond(s). There are 14 non-H bond(s), 2 multiple bond(s), 10 rotatable bond(s), 2 double bond(s), and 1 sulfate(s) (thio-/dithio-). Images of the chemical structure of Diamyl Sulfate are given below:
The 2D chemical structure image of Diamyl Sulfate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Diamyl 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 Diamyl 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 Diamyl 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 Diamyl Sulfate is provided here.
The Diamyl 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 Diamyl 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 Diamyl 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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Diamyl Sulfate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Diamyl Sulfate
The SMILES string of Diamyl Sulfate is CCCCCOS(=O)(=O)OCCCCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Diamyl Sulfate.
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Structure Data File (SDF/MOL File) of Diamyl Sulfate
The structure data file (SDF/MOL File) of Diamyl Sulfate is available for download in the SDF page of Diamyl Sulfate, which provides the information about the atoms, bonds, connectivity and coordinates of Diamyl Sulfate. The Diamyl Sulfate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Diamyl Sulfate
The molecular formula of Diamyl Sulfate is available in chemical formula page of Diamyl 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 Diamyl Sulfate
The molecular weight of Diamyl Sulfate is available in molecular weight page of Diamyl 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 Diamyl Sulfate
The Diamyl 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 Diamyl Sulfate including the various registry numbers, if available:
- D2955
- MFCD06797095
- ANW-33014
- Sulfuric acid dipentyl ester
- DIAMYLSULFATE
- 5867-98-1
- Diamyl Sulfate
Diamyl Sulfate Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Diamyl Sulfate? |
|---|
| C10H22O4S |
| How many atoms and what are the elements included the Diamyl Sulfate molecule? |
| 37 atom(s) - 22 Hydrogen atom(s), 10 Carbon atom(s), 4 Oxygen atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what kind of bonds are included the Diamyl Sulfate structure? |
| 36 bond(s) - 14 non-H bond(s), 2 multiple bond(s), 10 rotatable bond(s), 2 double bond(s), and 1 sulfate(s) (thio-/dithio-) |
| What’s the Diamyl Sulfate’s molecular weight? |
| 238.34428 g/mol |
| What’s the SMILES code of Diamyl Sulfate? |
| CCCCCOS(=O)(=O)OCCCCC |
| What’s the InChI string of Diamyl Sulfate? |
| InChI=1S/C10H22O4S/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3 |
| What’s the InChIKey code of Diamyl Sulfate? |
| GAFRWLVTHPVQGK-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).