Formula of Thiophene-2,3,5-tricarbaldehyde (C7H4O3S)
Identification of Thiophene-2,3,5-tricarbaldehyde Chemical Compound
Chemical Formula | C7H4O3S |
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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 Formula Description
The thiophene-2,3,5-tricarbaldehyde molecule contains a total of 15 atom(s). There are 4 Hydrogen atom(s), 7 Carbon atom(s), 3 Oxygen atom(s), and 1 Sulfur atom(s). A chemical formula of thiophene-2,3,5-tricarbaldehyde can therefore be written as:
C7H4O3S
The chemical formula of thiophene-2,3,5-tricarbaldehyde shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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Additional Information for Identifying Thiophene-2,3,5-tricarbaldehyde Molecule
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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 providing the information about the atoms, bonds, connectivity and coordinates of thiophene-2,3,5-tricarbaldehyde, which is not completely available in the chemical formula representation. The thiophene-2,3,5-tricarbaldehyde structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of thiophene-2,3,5-tricarbaldehyde
The chemical structure image of thiophene-2,3,5-tricarbaldehyde is available in chemical structure page of thiophene-2,3,5-tricarbaldehyde, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of thiophene-2,3,5-tricarbaldehyde and the chemical bonds that hold the atoms together.
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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 specified in the chemical formula of thiophene-2,3,5-tricarbaldehyde.
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InChI (IUPAC International Chemical Identifier) information of thiophene-2,3,5-tricarbaldehyde
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of thiophene-2,3,5-tricarbaldehyde is:
InChI=1S/C7H4O3S/c8-2-5-1-6(3-9)11-7(5)4-10/h1-4H
It can provide a standard way to encode the molecular information of thiophene-2,3,5-tricarbaldehyde 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 thiophene-2,3,5-tricarbaldehyde is:
InChIKey=KYOUENSYERRXJK-UHFFFAOYSA-N
The InChIKey may allow easier web searches for thiophene-2,3,5-tricarbaldehyde, but it needs to be linked to the full InChI to get back to the original structure of the thiophene-2,3,5-tricarbaldehyde since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of thiophene-2,3,5-tricarbaldehyde
The thiophene-2,3,5-tricarbaldehyde compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of thiophene-2,3,5-tricarbaldehyde including the registry numbers is given below, 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? |
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C7H4O3S |
How many atoms and what are they in the thiophene-2,3,5-tricarbaldehyde structure? |
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 are they in 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 molecular weight of thiophene-2,3,5-tricarbaldehyde? |
168.16986 g/mol |
What’s the SMILES string of thiophene-2,3,5-tricarbaldehyde? |
O=Cc1cc(C=O)c(C=O)s1 |
What’s the InChI 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 of thiophene-2,3,5-tricarbaldehyde? |
KYOUENSYERRXJK-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).