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Home Formula THIOPHENE

Formula 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 Formula Description

The THIOPHENE molecule contains a total of 9 atom(s). There are 4 Hydrogen atom(s), 4 Carbon atom(s) and 1 Sulfur atom(s). A chemical formula of THIOPHENE can therefore be written as:

C4H4S

The chemical formula of THIOPHENE shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

3D chemical structure image of THIOPHENE
Ball-and-stick model of THIOPHENE



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

  • InChI (IUPAC International Chemical Identifier) information of THIOPHENE

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of THIOPHENE is:

    InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H

    It can provide a standard way to encode the molecular information of THIOPHENE 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 THIOPHENE is:

    InChIKey=YTPLMLYBLZKORZ-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for THIOPHENE, but it needs to be linked to the full InChI to get back to the original structure of the THIOPHENE since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of THIOPHENE

    The THIOPHENE compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of THIOPHENE including the registry numbers is given below, 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 they in the THIOPHENE structure?
9 atom(s) - 4 Hydrogen atom(s), 4 Carbon atom(s) and 1 Sulfur atom(s)
How many chemical bonds and what are they in 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 molecular weight of THIOPHENE?
84.13956 g/mol
What’s the SMILES string of THIOPHENE?
c1ccsc1
What’s the InChI of THIOPHENE?
InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
What’s the InChIKey of THIOPHENE?
YTPLMLYBLZKORZ-UHFFFAOYSA-N

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