SDF/Mol File of Ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate (C11H10BrNO3S)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate Molecule

• Chemical structure of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is available in chemical structure page of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

  The molecular weight of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is available in molecular weight page of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

  The chemical formula of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is given in chemical formula page of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is:

  InChI=1S/C11H10BrNO3S/c1-3-16-11(15)9-6(5-14)10-7(13(9)2)4-8(12)17-10/h4-5H,3H2,1-2H3

  It can provide a standard way to encode the molecular information of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-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 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is:

  InChIKey=AUGQKTXYTWPTSH-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate, but it needs to be linked to the full InChI to get back to the original structure of the ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

  The ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate including the registry numbers are listed below, if available:

  • AMOT0358
  • 1221186-55-5

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Ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate Identification Summary Frequently Asked Questions (FAQs)

What’s the ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate formula?
C11H10BrNO3S
How many atoms and what elements are included in the ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate molecule?
27 atom(s) - 10 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), 1 Sulfur atom(s), and 1 Bromine atom(s)
How many chemical bonds and what kind of bonds are in the ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate structure?
28 bond(s) - 18 non-H bond(s), 11 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 9 aromatic bond(s), 2 five-membered ring(s), 1 eight-membered ring(s), 1 ester(s) (aromatic), 1 aldehyde(s) (aromatic), 1 Pyrrole(s), and 1 Thiophene(s)
What’s the ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate’s molar mass?
316.171 g/mol
What’s the SMILES structure of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
CCOC(=O)c2c(C=O)c1sc(Br)cc1n2C
What’s the InChI code of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
InChI=1S/C11H10BrNO3S/c1-3-16-11(15)9-6(5-14)10-7(13(9)2)4-8(12)17-10/h4-5H,3H2,1-2H3
What’s the InChIKey format of ethyl 2-bromo-6-formyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
AUGQKTXYTWPTSH-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).