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Molecular Weight of Ethyl 4,5-dibromothiophene-3-carboxylate (C7H6Br2O2S)

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2D chemical structure image of Ethyl 4,5-dibromothiophene-3-carboxylate
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
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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.

3D chemical structure image of Ethyl 4,5-dibromothiophene-3-carboxylate
Ball-and-stick model of Ethyl 4,5-dibromothiophene-3-carboxylate

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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


  • 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.

  • 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