Structure & Deep Data of Selenolo[3,2-b]thiophene (C6H4SSe)
Identification of Selenolo[3,2-b]thiophene Chemical Compound
Chemical Formula | C6H4SSe |
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Molecular Weight | 187.12096 g/mol |
IUPAC Name | selenopheno[3,2-b]thiophene |
SMILES String | c2cc1[se]ccc1s2 |
InChI | InChI=1S/C6H4SSe/c1-3-7-5-2-4-8-6(1)5/h1-4H |
InChIKey | FPDOSPSUXAVNKK-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 Selenolo[3,2-b]thiophene molecule contains a total of 13 bond(s). There are 9 non-H bond(s), 9 multiple bond(s), 9 aromatic bond(s), 2 five-membered ring(s), 1 eight-membered ring(s), and 1 Thiophene(s). Images of the chemical structure of Selenolo[3,2-b]thiophene are given below:
The 2D chemical structure image of Selenolo[3,2-b]thiophene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Selenolo[3,2-b]thiophene 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 Selenolo[3,2-b]thiophene 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 Selenolo[3,2-b]thiophene. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Selenolo[3,2-b]thiophene is provided here.
The Selenolo[3,2-b]thiophene 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 Selenolo[3,2-b]thiophene 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 Selenolo[3,2-b]thiophene 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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Additional Information for Identifying Selenolo[3,2-b]thiophene Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Selenolo[3,2-b]thiophene
The SMILES string of Selenolo[3,2-b]thiophene is c2cc1[se]ccc1s2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Selenolo[3,2-b]thiophene.
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Structure Data File (SDF/MOL File) of Selenolo[3,2-b]thiophene
The structure data file (SDF/MOL File) of Selenolo[3,2-b]thiophene is available for download in the SDF page of Selenolo[3,2-b]thiophene, which provides the information about the atoms, bonds, connectivity and coordinates of Selenolo[3,2-b]thiophene. The Selenolo[3,2-b]thiophene structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Selenolo[3,2-b]thiophene
The molecular formula of Selenolo[3,2-b]thiophene is available in chemical formula page of Selenolo[3,2-b]thiophene, 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 Selenolo[3,2-b]thiophene
The molecular weight of Selenolo[3,2-b]thiophene is available in molecular weight page of Selenolo[3,2-b]thiophene, 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 Selenolo[3,2-b]thiophene
The Selenolo[3,2-b]thiophene compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Selenolo[3,2-b]thiophene including the various registry numbers, if available:
- 20503-37-1
- Selenolo[3,2-b]thiophene
Selenolo[3,2-b]thiophene Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Selenolo[3,2-b]thiophene? |
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C6H4SSe |
How many atoms and what are the elements included the Selenolo[3,2-b]thiophene molecule? |
12 atom(s) - 4 Hydrogen atom(s), 6 Carbon atom(s), and 1 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are included the Selenolo[3,2-b]thiophene structure? |
13 bond(s) - 9 non-H bond(s), 9 multiple bond(s), 9 aromatic bond(s), 2 five-membered ring(s), 1 eight-membered ring(s), and 1 Thiophene(s) |
What’s the Selenolo[3,2-b]thiophene’s molecular weight? |
187.12096 g/mol |
What’s the SMILES code of Selenolo[3,2-b]thiophene? |
c2cc1[se]ccc1s2 |
What’s the InChI string of Selenolo[3,2-b]thiophene? |
InChI=1S/C6H4SSe/c1-3-7-5-2-4-8-6(1)5/h1-4H |
What’s the InChIKey code of Selenolo[3,2-b]thiophene? |
FPDOSPSUXAVNKK-UHFFFAOYSA-N |
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The contents of this page can freely be shared if cited as follows:
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).