Structure & Deep Data of Thiophene-2,3,5-tricarbaldehyde (C7H4O3S)
Identification of Thiophene-2,3,5-tricarbaldehyde Chemical Compound
| Chemical Formula | C7H4O3S |
|---|---|
| Molecular Weight | 168.16986 g/mol |
| IUPAC Name | thiophene-2,3,5-tricarbaldehyde |
| SMILES String | O=Cc1cc(C=O)c(C=O)s1 |
| InChI | InChI=1S/C7H4O3S/c8-2-5-1-6(3-9)11-7(5)4-10/h1-4H |
| InChIKey | KYOUENSYERRXJK-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 thiophene-2,3,5-tricarbaldehyde molecule contains a total of 15 bond(s). There are 11 non-H bond(s), 8 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 3 aldehyde(s) (aromatic), and 1 Thiophene(s). Images of the chemical structure of thiophene-2,3,5-tricarbaldehyde are given below:
The 2D chemical structure image of thiophene-2,3,5-tricarbaldehyde is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of thiophene-2,3,5-tricarbaldehyde 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 thiophene-2,3,5-tricarbaldehyde 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 thiophene-2,3,5-tricarbaldehyde. 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 thiophene-2,3,5-tricarbaldehyde is provided here.
The thiophene-2,3,5-tricarbaldehyde 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 thiophene-2,3,5-tricarbaldehyde 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 thiophene-2,3,5-tricarbaldehyde 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 Thiophene-2,3,5-tricarbaldehyde Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of thiophene-2,3,5-tricarbaldehyde
The SMILES string of thiophene-2,3,5-tricarbaldehyde is O=Cc1cc(C=O)c(C=O)s1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the thiophene-2,3,5-tricarbaldehyde.
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Structure Data File (SDF/MOL File) of thiophene-2,3,5-tricarbaldehyde
The structure data file (SDF/MOL File) of thiophene-2,3,5-tricarbaldehyde is available for download in the SDF page of thiophene-2,3,5-tricarbaldehyde, which provides the information about the atoms, bonds, connectivity and coordinates of thiophene-2,3,5-tricarbaldehyde. The thiophene-2,3,5-tricarbaldehyde structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of thiophene-2,3,5-tricarbaldehyde
The molecular formula of thiophene-2,3,5-tricarbaldehyde is available in chemical formula page of thiophene-2,3,5-tricarbaldehyde, 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 thiophene-2,3,5-tricarbaldehyde
The molecular weight of thiophene-2,3,5-tricarbaldehyde is available in molecular weight page of thiophene-2,3,5-tricarbaldehyde, 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 thiophene-2,3,5-tricarbaldehyde
The thiophene-2,3,5-tricarbaldehyde compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of thiophene-2,3,5-tricarbaldehyde including the various registry numbers, if available:
None available.
Thiophene-2,3,5-tricarbaldehyde Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of thiophene-2,3,5-tricarbaldehyde? |
|---|
| C7H4O3S |
| How many atoms and what are the elements included the thiophene-2,3,5-tricarbaldehyde molecule? |
| 15 atom(s) - 4 Hydrogen atom(s), 7 Carbon atom(s), 3 Oxygen atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what kind of bonds are included the thiophene-2,3,5-tricarbaldehyde structure? |
| 15 bond(s) - 11 non-H bond(s), 8 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 3 aldehyde(s) (aromatic), and 1 Thiophene(s) |
| What’s the thiophene-2,3,5-tricarbaldehyde’s molecular weight? |
| 168.16986 g/mol |
| What’s the SMILES code of thiophene-2,3,5-tricarbaldehyde? |
| O=Cc1cc(C=O)c(C=O)s1 |
| What’s the InChI string of thiophene-2,3,5-tricarbaldehyde? |
| InChI=1S/C7H4O3S/c8-2-5-1-6(3-9)11-7(5)4-10/h1-4H |
| What’s the InChIKey code of thiophene-2,3,5-tricarbaldehyde? |
| KYOUENSYERRXJK-UHFFFAOYSA-N |
99
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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).