Molecular Weight of Ethyl 4,5-dibromothiophene-3-carboxylate (C7H6Br2O2S)
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| Chemical Formula | C7H6Br2O2S |
|---|---|
| Molecular Weight | 313.99434 g/mol |
| IUPAC Name | ethyl 4,5-dibromothiophene-3-carboxylate |
| SMILES String | CCOC(=O)c1csc(Br)c1Br |
| InChI | InChI=1S/C7H6Br2O2S/c1-2-11-7(10)4-3-12-6(9)5(4)8/h3H,2H2,1H3 |
| InChIKey | ZJKKRSFGXOFNHV-UHFFFAOYSA-N |
| Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
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Molecular Weight Description
The Ethyl 4,5-dibromothiophene-3-carboxylate molecule consists of 6 Hydrogen atom(s), 7 Carbon atom(s), 2 Oxygen atom(s), 1 Sulfur atom(s), and 2 Bromine atom(s) - a total of 18 atom(s). The molecular weight of Ethyl 4,5-dibromothiophene-3-carboxylate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
313.99434·gmol
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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Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Ethyl 4,5-dibromothiophene-3-carboxylate Molecule
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Structure Data File (SDF/MOL File) of Ethyl 4,5-dibromothiophene-3-carboxylate
The structure data file (SDF/MOL File) of Ethyl 4,5-dibromothiophene-3-carboxylate is available for download in the SDF page of Ethyl 4,5-dibromothiophene-3-carboxylate, which provides the information on atoms, bonds, connectivity and coordinates of Ethyl 4,5-dibromothiophene-3-carboxylate. The Ethyl 4,5-dibromothiophene-3-carboxylate 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 Ethyl 4,5-dibromothiophene-3-carboxylate
The molecular structure image of Ethyl 4,5-dibromothiophene-3-carboxylate is available in chemical structure page of Ethyl 4,5-dibromothiophene-3-carboxylate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Ethyl 4,5-dibromothiophene-3-carboxylate and the chemical bonds that hold the atoms together.
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Chemical formula of Ethyl 4,5-dibromothiophene-3-carboxylate
The molecular formula of Ethyl 4,5-dibromothiophene-3-carboxylate is given in chemical formula page of Ethyl 4,5-dibromothiophene-3-carboxylate, 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 Ethyl 4,5-dibromothiophene-3-carboxylate
In addition to the molecular weight information, the structural information of Ethyl 4,5-dibromothiophene-3-carboxylate in a textual expression is available via InChi. The full standard InChI of Ethyl 4,5-dibromothiophene-3-carboxylate is given below:
InChI=1S/C7H6Br2O2S/c1-2-11-7(10)4-3-12-6(9)5(4)8/h3H,2H2,1H3
It can provide a way to encode the molecular information of Ethyl 4,5-dibromothiophene-3-carboxylate 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 Ethyl 4,5-dibromothiophene-3-carboxylate is:
InChIKey=ZJKKRSFGXOFNHV-UHFFFAOYSA-N
It may allow easier web searches for Ethyl 4,5-dibromothiophene-3-carboxylate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Ethyl 4,5-dibromothiophene-3-carboxylate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Ethyl 4,5-dibromothiophene-3-carboxylate
There may be different names of the Ethyl 4,5-dibromothiophene-3-carboxylate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 1823905-03-8
Ethyl 4,5-dibromothiophene-3-carboxylate Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Ethyl 4,5-dibromothiophene-3-carboxylate? |
|---|
| C7H6Br2O2S |
| How many atoms and what are the elements in the Ethyl 4,5-dibromothiophene-3-carboxylate molecule? |
| 18 atom(s) - 6 Hydrogen atom(s), 7 Carbon atom(s), 2 Oxygen atom(s), 1 Sulfur atom(s), and 2 Bromine atom(s) |
| How many chemical bonds and what types of bonds are in the Ethyl 4,5-dibromothiophene-3-carboxylate structure? |
| 18 bond(s) - 12 non-H bond(s), 6 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 ester(s) (aromatic), and 1 Thiophene(s) |
| What’s the molar mass of Ethyl 4,5-dibromothiophene-3-carboxylate? |
| 313.99434 g/mol |
| What’s the SMILES format of Ethyl 4,5-dibromothiophene-3-carboxylate? |
| CCOC(=O)c1csc(Br)c1Br |
| What’s the InChI format of Ethyl 4,5-dibromothiophene-3-carboxylate? |
| InChI=1S/C7H6Br2O2S/c1-2-11-7(10)4-3-12-6(9)5(4)8/h3H,2H2,1H3 |
| What’s the InChIKey string of Ethyl 4,5-dibromothiophene-3-carboxylate? |
| ZJKKRSFGXOFNHV-UHFFFAOYSA-N |