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Structure of THIOPHENE (C4H4S)

Identification of THIOPHENE Chemical Compound

2D chemical structure image of THIOPHENE
Chemical Formula C4H4S
Molecular Weight 84.13956 g/mol
IUPAC Name thiophene
SMILES String c1ccsc1
InChI InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
InChIKey YTPLMLYBLZKORZ-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 THIOPHENE molecule contains a total of 9 bond(s) There are 5 non-H bond(s), 5 multiple bond(s), 5 aromatic bond(s), 1 five-membered ring(s) and 1 Thiophene(s).
Images of the chemical structure of THIOPHENE are given below:

2D chemical structure image of THIOPHENE
2-dimensional (2D) chemical structure image of THIOPHENE
3D chemical structure image of THIOPHENE
3-dimensional (3D) chemical structure image of THIOPHENE

The 2D chemical structure image of THIOPHENE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 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 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 THIOPHENE.

An Interactive 3-dimensional (3D) Visualization of THIOPHENE

For a better understanding of the chemical structure, an interactive 3D visualization of THIOPHENE is provided here.

The 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 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 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 a image file.




More Properties of THIOPHENE

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics:

Additional Information for Identifying THIOPHENE Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of THIOPHENE

    The SMILES string of THIOPHENE is c1ccsc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the THIOPHENE.

  • Structure Data File (SDF/MOL File) of THIOPHENE

    The structure data file (SDF/MOL File) of THIOPHENE is available for download in the SDF page of THIOPHENE, which provides the information about the atoms, bonds, connectivity and coordinates of THIOPHENE. The THIOPHENE structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of THIOPHENE

    The molecular formula of THIOPHENE is available in chemical formula page of THIOPHENE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of THIOPHENE

    The molecular weight of THIOPHENE is available in molecular weight page of 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.

  • Other names (synonyms) or registry numbers of THIOPHENE

    The 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 THIOPHENE including the various registry numbers, if available:

    • Thiotetrole
    • Thiophene [UN2414] [Flammable liquid]
    • Thiophen
    • 8014-23-1
    • 110-02-1
    • 25233-34-5
    • USAF EK-1860
    • Thiole
    • Thiofurfuran
    • Thiofuran
    • Thiofuram
    • Thiofen [Czech]
    • Thiaphene
    • Thiacyclopentadiene
    • Huile HSO
    • Huile H50
    • Furan, thio-
    • Divinylene sulfide
    • CP 34
    • Thiophene, homopolymer
    • Polythiophene

Additional Outstanding Products

THIOPHENE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of THIOPHENE?
C4H4S
How many atoms and what are the elements included the THIOPHENE molecule?
9 atom(s) - 4 Hydrogen atom(s), 4 Carbon atom(s) and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the THIOPHENE structure?
9 bond(s) - 5 non-H bond(s), 5 multiple bond(s), 5 aromatic bond(s), 1 five-membered ring(s) and 1 Thiophene(s)
What’s the THIOPHENE’s molecular weight?
84.13956 g/mol
What’s the SMILES code of THIOPHENE?
c1ccsc1
What’s the InChI string of THIOPHENE?
InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
What’s the InChIKey code of THIOPHENE?
YTPLMLYBLZKORZ-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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